SCHEMBL84156

SCHEMBL84156

CC(C)(C)c1cnc2c(c1)CCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.49
GRM5 P41594 1/20 0.46
ASIC3 Q9UHC3 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.41
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
ADORA2A P29274 1/20 0.35
PIK3CD O00329 1/20 0.34
ABL1 P00519 1/20 0.32
MAP3K12 Q12852 1/20 0.31
HTR1D P28221 3/20 0.31
HTR1B P28222 2/20 0.31
ADRA1A P35348 2/20 0.31
HTR1A P08908 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL25950314 0.90 NNMT (0.51) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL19604710 0.82 NNMT (0.43) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL11990238 0.82 NNMT (0.49) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL8385220 0.78 GRM5 (0.41) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL22047818 0.76 HTR1D (0.32) HTR1DHTR1BADRA1AHTR1ALMNA
SCHEMBL26818198 0.76
SCHEMBL828125 0.76 NNMT (0.53) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL25068052 0.75 NNMT (0.45) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL26441018 0.75 NNMT (0.45) NNMTGRM5ASIC3PIK3C3ALOX5AP
SCHEMBL25636518 0.75 NNMT (0.45) NNMTGRM5ASIC3PIK3C3ALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors Eil Therapeutics, Inc. (US) 2023-12-05 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof SANOFI (FR) 2022-06-30 US disclosed
US-20220142975-A1 Pharmaceutical Combination and Use Thereof ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2022-05-12 US disclosed
WO-2021250399-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2021-12-16 WO disclosed
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof SANOFI (FR) 2021-10-19 US disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
US-20140179675-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 US disclosed
US-8658661-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF Guangzzhou Institute of Biomedicine and Health, Chineses Academy of Sciences (CN) 2013-08-01 US disclosed
US-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
US-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-01 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
US-8129394-B2 Heteroaryl-substituted imidazole compounds and uses thereof NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 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 (14 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-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B NNMT 2511/4885GRM5 432/4885ASIC3 3110/4885
US-11834450-B2 Compounds having ((3-nitrophenyl)sulfonyl)acetamide as BCL-2 inhibitors BCL2, BCL2A1, BCL2L1 NNMT 261/4885GRM5 4569/4885ASIC3 3879/4885
US-20130196985-A1 HETEROCYCLIC ALKYNYL BENZENE COMPOUNDS AND MEDICAL COMPOSITIONS AND USES THEREOF ABCB1, VHL, ABCC1 NNMT 2836/4885GRM5 3279/4885ASIC3 3799/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B NNMT 2511/4885GRM5 432/4885ASIC3 3110/4885
US-11149031-B2 Substituted N-(3-fluoropropyl)-pyrrolidine compounds, processes for their preparation and therapeutic uses thereof ESR1, CYP19A1, ESR2 NNMT 363/4885GRM5 707/4885ASIC3 3984/4885
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 NNMT 3100/4885GRM5 1129/4885ASIC3 1345/4885
US-20220204488-A1 Novel Substituted N-(3-Fluoropropyl)-Pyrrolidine Compounds, Processes for their Preparation and Therapeutic Uses Thereof ESR1, CYP19A1, GPER1 NNMT 377/4885GRM5 532/4885ASIC3 3652/4885
US-20120277226-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S NNMT 3118/4885GRM5 4106/4885ASIC3 2011/4885
US-20140179675-A1 QUINOLONE COMPOUND HAX1, NQO2, NHERF1 NNMT 3831/4885GRM5 4193/4885ASIC3 613/4885
US-20120277227-A1 BENZIMIDAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTC4S, LTB4R, LTB4R2 NNMT 3224/4885GRM5 4017/4885ASIC3 1796/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 NNMT 3482/4885GRM5 4283/4885ASIC3 771/4885
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S NNMT 2571/4885GRM5 1079/4885ASIC3 1542/4885
US-20220142975-A1 Pharmaceutical Combination and Use Thereof SLC5A6, SLC10A1, SLC26A4 NNMT 3890/4885GRM5 3160/4885ASIC3 927/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS NNMT 859/4885GRM5 3996/4885ASIC3 4154/4885

“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.