SCHEMBL295238

SCHEMBL295238

CN1CCCN(C=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
SMARCA4 P51532 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL273020 0.92
SCHEMBL29178251 0.92 TDP1 (0.38) HSD17B10TDP1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3831383 0.89 TDP1 (0.36) HSD17B10HTTAPOBEC3AAPOBEC3GTDP1
Bromide SCHEMBL16765046 0.89 TDP1 (0.36) HSD17B10TDP1ALDH1A1CYP1A2
Formic Acid SCHEMBL29763161 0.84 CYP1A2 (0.39) HSD17B10TDP1ALDH1A1CYP1A2
SCHEMBL20055717 0.80 HSD17B10 (0.42) HSD17B10
SCHEMBL8729 0.80
SCHEMBL3950444 0.80
SCHEMBL22048427 0.79
SCHEMBL21246163 0.77 HTT (0.35) HTTAPOBEC3AAPOBEC3GLMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493545-A2 FUSED PYRAZOLE AMIDE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2025-01-22 EP claimed
CN-111491918-B Aryl and heteroaryl substituted indole compounds 百时美施贵宝公司 2023-10-24 CN claimed
WO-2023177563-A2 FUSED PYRAZOLE AMIDE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-21 WO claimed
CN-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 CN claimed
CN-114929345-A Substituted pyrazole compounds as TOLL receptor inhibitors 百时美施贵宝公司 2022-08-19 CN claimed
CN-111511730-A Amide substituted indole compounds useful as T L R inhibitors 百时美施贵宝公司 2020-08-07 CN claimed
CN-111491918-A Aryl and heteroaryl substituted indole compounds 百时美施贵宝公司 2020-08-04 CN claimed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US claimed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 WO claimed
JP-2006519232-A 2006-08-24 JP claimed
EP-1603570-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2005-12-14 EP claimed
WO-2004076412-A2 AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2004-09-10 WO claimed
EP-4493545-A2 FUSED PYRAZOLE AMIDE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS Merck Sharp & Dohme LLC (US) 2025-01-22 EP disclosed
CN-111491918-B Aryl and heteroaryl substituted indole compounds 百时美施贵宝公司 2023-10-24 CN disclosed
WO-2023177563-A2 FUSED PYRAZOLE AMIDE ANALOGS AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-09-21 WO disclosed
CN-111511730-B Amide substituted indole compounds useful as TLR inhibitors 百时美施贵宝公司 2023-07-25 CN disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
US-7485633-B2 RNA polymerase, HCV metalloprotease, HCV serine protease, HCV polymerase, HCV helicase inhibitor; liver disease; (+/-)-8-Cyclohexyl-N-4-(morpholinosulfonyl)-1,1a,2,12b-tetrahydro-11-methoxy-1a-(3-methyl-3,8-diazabicyclo[3.2.1]octane-8-carbonyl)cycloprop[d]indolo[2,1-a][2]benzazepine-5-carboxamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-03 US disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 WO disclosed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF HSD17B10 4676/4885HTT 4823/4885APOBEC3A 1733/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 HSD17B10 323/4885HTT 204/4885APOBEC3A 4631/4885

“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.