Abt-418

Abt-418

SCHEMBL7130413

Cc1cc([C@@H]2CCCN2C)on1.Cl

nearest known ligand 0.97

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 Abt-418. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 known ✓ P30926 1/20 0.97
▸ CHRNA3 known ✓ P32297 1/20 0.97
▸ CHRNA7 known ✓ P36544 1/20 0.97
▸ CHRM2 known ✓ P08172 3/20 0.51
▸ CHRM4 known ✓ P08173 3/20 0.51
▸ CHRM5 known ✓ P08912 3/20 0.51
▸ CHRM1 known ✓ P11229 3/20 0.51
▸ CHRM3 known ✓ P20309 3/20 0.51
▸ CHRNB2 P17787 1/20 0.97
▸ CHRNA4 P43681 1/20 0.97

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
Abt-418 SCHEMBL8106821 1.00 CHRNB2 (0.97) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL7586948 1.00 CHRNB2 (0.97) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL8114587 0.98 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL2911067 0.98 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL194161 0.98 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL9260223 0.95 CHRNB2 (0.88) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9263504 0.94 CHRNB2 (0.91) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Abt-418 SCHEMBL8114179 0.91 CHRNB2 (0.86) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL9270411 0.90 CHRNB2 (0.79) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL14112932 0.88 CHRNB2 (0.81) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 — — US claimed
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES IPS HEART 2021-02-25 — — US disclosed
US-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS IPS HEART 2018-09-27 — — US disclosed
EP-1214062-B1 USE OF NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS FOR THE PREPARATION OF A MEDICAMENT FOR THE TREATMENT OF DRY EYE DISEASE INSPIRE PHARMACEUTICALS (US) 2003-11-12 — — EP disclosed
US-20030069272-A1 Method of enhancing joint lubrication with nicotinic acetylcholine receptor agonists YERXA BENJAMIN R (US) 2003-04-10 — — US disclosed
US-6448276-B1 SUCH AS 1-PYRIDIN-3-YL-4-PYRROLIDIN-1-YL-BUT-1-ENE; INCREASING HYDRATION AND LUBRICATION OF VAGINAL AND CERVICAL TISSUES; NICOTINE, EPIBATIDINE ALKALOIDS AND ANALOGS INSPIRE PHARMACEUTICALS, INC. 2002-09-10 — — US disclosed
US-6277855-B1 STIMULATION OF MUCIN SECRETION IN THE LACRIMAL SYSTEM INSPIRE PHARMACEUTICALS, INC. 2001-08-21 — — US disclosed
EP-0717741-B1 METHOD OF PREPARING ENANTIOMERICALLY-PURE 3-METHYL-5-(1-ALKYL-2(S)-PYRROLIDINYL)ISOXAZOLES ABBOTT LAB (US) 2001-05-30 — — EP disclosed
EP-0588917-B1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS THAT ENHANCE COGNITIVE FUNCTION ABBOTT LAB (US) 2000-11-08 — — EP disclosed
US-5559242-A FROM PYROGLUTAMIC ACID, ESTERIFICATION, REACTION WITH DIANION OF ACETONE OXIME, CYCLIZATION, REDUCTION, ALKYLATION ABBOTT LABORATORIES (US) 1996-09-24 — — US disclosed
US-5516912-A FROM PROTECTED 2-OXOPYRROLIDINE ABBOTT LABORATORIES (US) 1996-05-14 — — US disclosed
US-5508418-A FOR MAKING CHOLINERGIC OR ANXIOLYTIC AGENTS ABBOTT LABORATORIES (US) 1996-04-16 — — US disclosed
US-5424444-A Reacting N-alkyl-L-proline ester with salt of dianion of acetone oxime or acetonitrile or other imine anion compounds; cyclization, dehydration after reaction with Grignard reagent and hydroxylamine ABBOTT LABORATORIES (US) 1995-06-13 — — US disclosed
US-5409946-A Antiepileptic agent ABBOTT LABORATORIES (US) 1995-04-25 — — 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 (3 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-20180273906-A1 MICROVESICLE AND STEM CELL COMPOSITIONS FOR THERAPEUTIC APPLICATIONS EXOSC9, EXOSC5, EXOSC4 CHRNB4 2166/4885CHRNA3 1957/4885CHRNA7 2184/4885
US-20210054344-A1 CPC EXOSOMES MIRNA373 COMBINATION THERAPIES EXOSC5, UTRN, EXOSC4 CHRNB4 903/4885CHRNA3 961/4885CHRNA7 1459/4885
US-20030069272-A1 Method of enhancing joint lubrication with nicotinic acetylcholine receptor agonists CHRM3, CHRM2, CHRM4 CHRNB4 51/4885CHRNA3 13/4885CHRNA7 8/4885

“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.

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