SCHEMBL215922

SCHEMBL215922

NC(=O)C1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
CYP2D6 P10635 1/20 0.52
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NOS2 P35228 2/20 0.48
EPHX1 P07099 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 1/20 0.41
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.39
ALOX5 P09917 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL216550 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A
SCHEMBL28636550 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A
SCHEMBL30542351 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A
SCHEMBL30542352 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A
SCHEMBL217106 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A
SCHEMBL25485911 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A
SCHEMBL217428 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A
Cyclohexane Carboxamide SCHEMBL26181 1.00
SCHEMBL218387 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A
SCHEMBL27938035 1.00 CES2 (0.58) CES2CES1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF DONG-A ST CO., LTD. (KR) 2024-01-25 US claimed
CN-112578059-A Detection method of fluoxetine and norfluoxetine 北京和合医学诊断技术股份有限公司 2021-03-30 CN claimed
CN-112034078-A Method for detecting carbamazepine 北京和合医学诊断技术股份有限公司 2020-12-04 CN claimed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
EP-1498411-B9 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-12-04 EP claimed
EP-1945206-B1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS ATHERSYS INC (US) 2013-04-24 EP claimed
EP-1498411-B1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-16 EP claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-1928840-B1 1H-Pyrazole-4-carboxamides, their preparation and their use as 11-beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN LA ROCHE (CH) 2011-08-10 EP claimed
US-7838529-B2 Xanthine derivates, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US claimed
US-20030235543-A1 Topical administration of pharmacologically active bases for skin lightening MAIBACH HOWARD I (US) 2003-12-25 US claimed
US-20030235627-A1 Topical administration of pharmacologically active bases in the treatment of warts TECHNOLOGY RECOVERY SYSTEMS, LLC 2003-12-25 US claimed
US-20030099678-A1 Method and topical formulation for treating skin conditions associated with aging TECHNOLOGY RECOVERY SYSTEMS, LLC 2003-05-29 US claimed
US-20030077301-A1 Topical pharmaceutical composition for the treatment of inflammatory dermatoses DERMATRENDS, INC. 2003-04-24 US claimed
US-20030072814-A1 Topical pharmaceutical composition for the treatment of warts DERMATRENDS, INC. 2003-04-17 US claimed
US-20030072724-A1 Topical pharmaceutical composition to treat hyperpigmentation of the skin MAIBACH HOWARD I (US) 2003-04-17 US claimed
WO-2003026680-A2 METHOD AND TOPICAL FORMULATION FOR TREATING SKIN CONDITIONS ASSOCIATED WITH AGING DERMATRENDS, INC. (US) 2003-04-03 WO claimed
US-20030059450-A1 Method and topical formulation for treating skin conditions associated with aging MAIBACH HOWARD I (US) 2003-03-27 US claimed
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed

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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 CES2 3637/4885CES1 2526/4885KDM4E 140/4885
US-20240025884-A1 COMPOUNDS AS GCN2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EIF2AK4, GCN1, GCGR CES2 2482/4885CES1 520/4885KDM4E 4591/4885

“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.