Dorastine

Dorastine

SCHEMBL293802

Cc1ccc(CCn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cn1.Cl.Cl

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Dorastine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 known ✓ P50406 17/20 0.80
HRH1 known ✓ P35367 16/20 0.80
ADRA2A known ✓ P08913 3/20 0.80
HTR2A known ✓ P28223 3/20 0.80
HTR2C known ✓ P28335 3/20 0.80
HTR7 known ✓ P34969 3/20 0.80
ADRA1A known ✓ P35348 3/20 0.80
DRD2 known ✓ P14416 2/20 0.80
BCHE known ✓ P06276 1/20 0.80
ADRA2B known ✓ P18089 1/20 0.80
ADRA2C known ✓ P18825 1/20 0.80
ACHE known ✓ P22303 1/20 0.80
HRH2 known ✓ P25021 1/20 0.80
ADRA1D known ✓ P25100 1/20 0.80
HTR1D known ✓ P28221 1/20 0.80
HTR1E known ✓ P28566 1/20 0.80
ADRA1B known ✓ P35368 1/20 0.80
DRD3 known ✓ P35462 1/20 0.80
HTR2B known ✓ P41595 1/20 0.80
HTR5A known ✓ P47898 1/20 0.80

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dorastine SCHEMBL3116611 0.99 HTR6 (0.81) HTR6HRH1ADRA2AHTR2AHTR2C
Dorastine SCHEMBL29387736 0.99 HTR6 (0.81) HTR6HRH1ADRA2AHTR2AHTR2C
Dorastine SCHEMBL3264836 0.95 HRH1 (0.89) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13696101 0.93 HTR6 (0.72) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL13293404 0.92 HRH1 (0.70) HTR6HRH1ADRA2AHTR2AHTR2C
Dorastine SCHEMBL3121653 0.92 ALDH1A1 (0.77) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL3610808 0.91 ALDH1A1 (0.76) HTR6HRH1ADRA2AHTR2AHTR2C
SCHEMBL12820293 0.91 HTR6 (0.68) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL3733639 0.90 HRH1 (0.98) HTR6HRH1ADRA2AHTR2AHTR2C
Latrepirdine SCHEMBL29717582 0.90 HRH1 (0.98) HTR6HRH1ADRA2AHTR2AHTR2C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240382574-A1 METHODS AND COMPOSITIONS FOR ORALLY DOSING ANIMALS Animal Science Products, Inc. (US) 2024-11-21 US disclosed
US-20210290771-A1 ENGINEERED RECEPTOR/LIGAND SYSTEM FOR DELIVERY OF THERAPEUTIC AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-09-23 US disclosed
US-11000597-B2 Engineered receptor/ligand system for delivery of therapeutic agents UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-05-11 US disclosed
US-10624877-B2 Composition and method for treatment of symptoms associated with various skin conditions THERACEUTIX, LLC (US) 2020-04-21 US disclosed
US-20190054024-A1 Solid Dosage Forms HUMANWELL PHARMACEUTICAL US, Inc. (US) 2019-02-21 US disclosed
US-20180133196-A1 COMPOSITION AND METHOD FOR TREATMENT OF SYMPTOMS ASSOCIATED WITH VARIOUS SKIN CONDITIONS THERACEUTIX, LLC 2018-05-17 US disclosed
US-9968590-B2 Composition and method for treatment of symptoms associated with various skin conditions THERACEUTIX, LLC (US) 2018-05-15 US disclosed
US-20180015172-A1 ENGINEERED RECEPTOR/LIGAND SYSTEM FOR DELIVERY OF THERAPEUTIC AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2018-01-18 US disclosed
US-20170216314-A1 TOPICAL FORMULATIONS NUVO RESEARCH INC. (CA) 2017-08-03 US disclosed
US-9642912-B2 Topical formulations for treating skin conditions CRESCITA THERAPEUTICS INC. (CA) 2017-05-09 US disclosed
US-20020010208-A1 Targeting a pharmaceutical agent to a noncentral nervous system tissue by administering a covalent conjugate of the drug and cis-docosahexanoic acid LUITPOLD PHARMACEUTICALS, INC. 2002-01-24 US disclosed
US-6267957-B1 Attaching agents to tissue with transglutaminase and a transglutaminase substrate PERICOR SCIENCE, INC. 2001-07-31 US disclosed
US-20010002404-A1 Fatty acid-pharmaceutical agent conjugates LUITPOLD PHARMACEUTICALS, INC. 2001-05-31 US disclosed
WO-2001007009-A1 LYSINE OXIDASE LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
WO-2001006829-A2 LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE, INC. (US) 2001-02-01 WO disclosed
EP-1054998-A1 TRANSGLUTAMINASE LINKAGE OF AGENTS TO TISSUE Pericor Science, Inc. (US) 2000-11-29 EP disclosed
WO-2000040604-A2 METHODS AND COMPOSITIONS FOR MODULATING CYTOKINE RELEASE BY αEβ7-EXPRESSING CELLS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2000-07-13 WO disclosed
WO-1999036570-A2 TRANSGLUTAMINASE LINKAGE OF AGENTS TO TISSUE PERICOR SCIENCE INC (US) 1999-07-22 WO disclosed
WO-1999030690-A1 ORAL DELIVERY FORMULATION AXIA THERAPEUTICS, INC. (US) 1999-06-24 WO disclosed
US-5795909-A ANTICARCINOGENIC AND ANTITUMOR AGENTS; BREAST, COLON, OVARIANCANCERS NEUROMEDICA, INC. (US) 1998-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020010208-A1 Targeting a pharmaceutical agent to a noncentral nervous system tissue by administering a covalent conjugate of the drug and cis-docosahexanoic acid FABP7, FADS2, ALOX5 HTR6 782/4885HRH1 2347/4885ADRA2A 946/4885
US-10624877-B2 Composition and method for treatment of symptoms associated with various skin conditions OAT, CUTA, KRT18 HTR6 1963/4885HRH1 351/4885ADRA2A 3262/4885
US-20010002404-A1 Fatty acid-pharmaceutical agent conjugates FABP7, FFAR2, FFAR4 HTR6 604/4885HRH1 1088/4885ADRA2A 639/4885
US-20180133196-A1 COMPOSITION AND METHOD FOR TREATMENT OF SYMPTOMS ASSOCIATED WITH VARIOUS SKIN CONDITIONS OAT, CUTA, KRT18 HTR6 1963/4885HRH1 351/4885ADRA2A 3262/4885
US-20170216314-A1 TOPICAL FORMULATIONS SMURF1, SGMS1, SPTLC1 HTR6 1333/4885HRH1 4592/4885ADRA2A 2842/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.