SCHEMBL11323732

SCHEMBL11323732

CC(C)c1ccn(C(C)C)c(=O)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.35
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL11399597 0.78 KDM4E (0.34) ALDH1A1KDM5BMEN1KMT2A
SCHEMBL12942479 0.78 KDM5A (0.33) KDM5AALDH1A1
SCHEMBL10643795 0.76 KDM5A (0.33) KDM5AALDH1A1
SCHEMBL15032488 0.76 KDM5A (0.35) KDM5A
SCHEMBL784164 0.76 ADORA2A (0.36) KDM5AALDH1A1MEN1KMT2A
SCHEMBL14199825 0.73 DRD2 (0.32) KDM5A
SCHEMBL14769821 0.73 MAPT (0.46) KDM5AKMT2A
SCHEMBL22605364 0.73 SMPD3 (0.38) KDM5A
SCHEMBL14769819 0.73 GPR139 (0.35) KDM5A
SCHEMBL17282461 0.73 MEN1 (0.43) KDM5AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors GENENTECH, INC. (US) 2018-07-17 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8933012-B2 Glycopeptide antibiotic derivative SHIONOGI & CO., LTD. (JP) 2015-01-13 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-8221737-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 US disclosed
US-20090286717-A1 Glycopeptide Antibiotic Derivative SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (9 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM5A 1447/4885ALDH1A1 365/4885GAA 285/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM5A 1447/4885ALDH1A1 365/4885GAA 285/4885
US-20170312252-A1 PYRROLIDINE AMIDE COMPOUNDS AS HISTONE DEMETHYLASE INHIBITORS KDM5A, KDM5C, KDM5B KDM5A 1/4885ALDH1A1 1228/4885GAA 551/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM5A 1447/4885ALDH1A1 365/4885GAA 285/4885
US-20090286717-A1 Glycopeptide Antibiotic Derivative NR2C2, NR0B2, NR3C2 KDM5A 3799/4885ALDH1A1 3967/4885GAA 3315/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 KDM5A 947/4885ALDH1A1 250/4885GAA 346/4885
US-10022354-B2 Pyrrolidine amide compounds as histone demethylase inhibitors KDM5A, KDM5C, KDM1B KDM5A 1/4885ALDH1A1 1149/4885GAA 526/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 KDM5A 4200/4885ALDH1A1 2289/4885GAA 1095/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 KDM5A 947/4885ALDH1A1 250/4885GAA 346/4885

“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.