Gusperimus

Gusperimus

SCHEMBL26925

Cl.Cl.Cl.Cl.Cl.Cl.N=C(N)NCCCCCCC(=O)NC(O)C(=O)NCCCCNCCCN.N=C(N)NCCCCCCC(=O)NC(O)C(=O)NCCCCNCCCN

nearest known ligand 0.50

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 Gusperimus. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB4 known ✓ P30926 2/20 0.43
CHRNA3 known ✓ P32297 2/20 0.43
GRIN1 known ✓ Q05586 1/20 0.43
GRIN2A known ✓ Q12879 1/20 0.43
GRIA1 P42261 8/20 0.46
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
GRM1 Q13255 1/20 0.43
PAOX Q6QHF9 1/20 0.42

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
Gusperimus SCHEMBL7320030 1.00 GRIA1 (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Gusperimus SCHEMBL12980163 1.00 GRIA1 (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL9772175 1.00 GRIA1 (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL9772231 1.00 GRIA1 (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL9772186 1.00 GRIA1 (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Gusperimus SCHEMBL317912 1.00 GRIA1 (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Gusperimus SCHEMBL317327 1.00 GRIA1 (0.46) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Gusperimus SCHEMBL10910437 0.99 GRIA1 (0.45) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9772173 0.99 GRIA1 (0.47) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4
Hydrochloric Acid SCHEMBL9772154 0.99 GRIA1 (0.44) GRIA1CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10058641-B2 Medical devices containing rapamycin analogs ABBOTT LABORATORIES (US) 2018-08-28 US disclosed
EP-3175870-A1 MEDICAL DEVICE HAVING HYDRATION INHIBITOR Abbott Laboratories (US) 2017-06-07 EP disclosed
EP-3138531-A1 COMPOSITIONS AND METHODS OF ADMINISTERING RAPAMYCIN ANALOGS USING MEDICAL DEVICES FOR LONG-TERM EFFICACY Abbott Laboratories (US) 2017-03-08 EP disclosed
EP-2358299-B1 BODY LUMEN FILTER RETRIEVAL SYSTEM AND METHODS FOR FILTERING A BODY LUMEN ABBOTT LABORATORIES VASCULAR ENTPR LTD (IE) 2017-02-15 EP disclosed
US-9504551-B2 Apparatus for filtering a body lumen ABBOTT LABORATORIES VASCULAR ENTERPRISES LIMITED (IE) 2016-11-29 US disclosed
EP-2387373-B1 METHODS AND APPARATUS FOR FILTERING A BODY LUMEN ABBOTT LAB VASCULAR ENTPR LTD (IE) 2016-10-12 EP disclosed
EP-1427457-B1 MEDICAL DEVICES CONTAINING RAPAMYCIN ANALOGS ABBOTT LAB (US) 2016-08-17 EP disclosed
US-20160220739-A1 MEDICAL DEVICES CONTAINING RAPAMYCIN ANALOGS ABBOTT LAB (US) 2016-08-04 US disclosed
US-9375304-B2 Methods and apparatus for filtering a body lumen ABBOTT LABORATORIES VASCULAR ENTERPRISES LIMITED (IE) 2016-06-28 US disclosed
EP-2493419-B1 Medical device for treatment of a lumen ABBOTT LAB VASCULAR ENTPR LTD (IE) 2016-05-04 EP disclosed
WO-1999020267-A1 FURANYL, TETRACYCLIC TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1999015530-A1 TETRAZOLE-CONTAINING RAPAMYCIN ANALOGS WITH SHORTENED HALF-LIVES ABBOTT LABORATORIES (US) 1999-04-01 WO disclosed
EP-0858456-A4 TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO INC (US) 1998-12-30 EP disclosed
EP-0858456-A1 TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY Merck & Co., Inc. (US) 1998-08-19 EP disclosed
EP-0858332-A1 TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1998016518-A1 TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1998-04-23 WO disclosed
WO-1998016531-A1 TRITERPENE DERIVATIVES WITH IMMUNOSUPRESSANT ACTIVITY MERCK & CO., INC. (US) 1998-04-23 WO disclosed
WO-1998016532-A1 TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1998-04-23 WO disclosed
WO-1997016182-A1 TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1997-05-09 WO disclosed
WO-1997016437-A1 TRITERPENE DERIVATIVES WITH IMMUNOSUPPRESSANT ACTIVITY MERCK & CO., INC. (US) 1997-05-09 WO 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 (2 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-10058641-B2 Medical devices containing rapamycin analogs PGF, RICTOR, MMP9 CHRNB4 4873/4885CHRNA3 4869/4885GRIN1 4190/4885
US-20160220739-A1 MEDICAL DEVICES CONTAINING RAPAMYCIN ANALOGS PGF, RICTOR, MMP9 CHRNB4 4873/4885CHRNA3 4869/4885GRIN1 4190/4885

“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.