SCHEMBL3469463

SCHEMBL3469463

CC1(C)CCCN1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
DPP4 P27487 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
CNR2 P34972 6/20 0.33

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
Hydrochloric Acid SCHEMBL29089994 0.98 TSHR (0.34) TSHRNFKB1CYP2C19DPP4KDM5A
SCHEMBL378129 0.93 TSHR (0.34) TSHRNFKB1CYP2C19DPP4KDM5A
SCHEMBL12499298 0.91 ALDH1A1 (0.35) TSHRNFKB1CYP2C19DPP4KDM5A
SCHEMBL21296526 0.86
SCHEMBL1355575 0.79 TSHR (0.41) TSHRNFKB1CYP2C19DPP4KDM5A
SCHEMBL12155643 0.79 TSHR (0.36) TSHRNFKB1CYP2C19KDM5AKDM4C
SCHEMBL27861360 0.77 TSHR (0.35) TSHRNFKB1CYP2C19DPP4KDM5A
SCHEMBL27844146 0.77 CNR2 (0.36) TSHRNFKB1CYP2C19DPP4KDM5A
SCHEMBL22964983 0.77 DPP4 (0.35) TSHRNFKB1CYP2C19DPP4KDM5A
SCHEMBL11040604 0.77 FFAR3 (0.34) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929345-A Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2022-08-19 CN claimed
EP-3353155-A1 PYRIDYL OR PYRAZINYL COMPOUNDS CARRYING A METHYL-BOUND ALPHA-AMINO ACID AMIDE GROUP AbbVie Deutschland GmbH & Co. KG (DE) 2018-08-01 EP claimed
WO-2017050807-A1 PYRIDYL OR PYRAZINYL COMPOUNDS CARRYING A METHYL-BOUND ALPHA-AMINO ACID AMIDE GROUP AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-30 WO claimed
WO-2012101654-A2 NOVEL TRIAZINE COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-08-02 WO claimed
JP-4377942-B2 2009-12-02 JP claimed
JP-2008531599-A 2008-08-14 JP claimed
EP-1856057-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES Serenex, Inc. (US) 2007-11-21 EP claimed
WO-2006091963-A1 TETRAHYDROINDOLONE AND TETRAHYDROINDAZOLONE DERIVATIVES SERENEX, INC. (US) 2006-08-31 WO claimed
EP-1372692-A4 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INST CANCER (US) 2005-10-26 EP claimed
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-29 US claimed
EP-1372692-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR Sloan Kettering Institute For Cancer Research (US) 2004-01-02 EP claimed
US-6660741-B2 Coupling an O-protected methoxypyrrolidine or derivatives with N-protected amino acid 2,5-dioxo-pyrrolidinyl ester to form intermediate, deportecting with trifluoroacetic acid to form pyrrolidine-1-carbonyl-2-methylamine or derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-12-09 US claimed
US-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2002-12-26 US claimed
WO-2002074050-A2 ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2002-09-26 WO claimed
US-20240293392-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-09-05 US disclosed
US-20230081390-A1 INHIBITORS OF RAF KINASES Pierre Fabre Médicament (FR) 2023-03-16 US disclosed
EP-3917616-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2021-12-08 EP disclosed
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2004-01-29 US disclosed
US-6660741-B2 Coupling an O-protected methoxypyrrolidine or derivatives with N-protected amino acid 2,5-dioxo-pyrrolidinyl ester to form intermediate, deportecting with trifluoroacetic acid to form pyrrolidine-1-carbonyl-2-methylamine or derivatives SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2003-12-09 US disclosed
US-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH 2002-12-26 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 (4 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-20020198156-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, ACTR3 TSHR 3339/4885NFKB1 2889/4885CYP2C19 4163/4885
US-20240293392-A1 INHIBITOR COMPOUNDS MSH2, PMS2, MSH6 TSHR 4021/4885NFKB1 1314/4885CYP2C19 1381/4885
US-20230081390-A1 INHIBITORS OF RAF KINASES BRAF, RAF1, ARAF TSHR 1226/4885NFKB1 1350/4885CYP2C19 4217/4885
US-20040019083-A1 Asymmetric synthesis of (S,S,R)-(-)-actinonin and its analogs and uses therefor HASPIN, CYTH2, CYTH3 TSHR 3357/4885NFKB1 2866/4885CYP2C19 4146/4885

“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.