Caprolactam

Caprolactam

SCHEMBL327157

O=C1CC2CCCN12.O=C1CCCCCN1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP5 Q13451 1/20 0.50
CRBN Q96SW2 1/20 0.50
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
POLB P06746 2/20 0.45
OR51E2 Q9H255 1/20 0.42
F2 P00734 4/20 0.34
PLAT P00750 1/20 0.34
PRSS1 P07477 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
CDA P32320 1/20 0.31
NTRK1 P04629 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
2-Pyrrolidone SCHEMBL8571078 0.79 OR51E2 (0.48) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL9188344 0.79
SCHEMBL2762585 0.79
SCHEMBL9188342 0.79
Charcoal, Activated SCHEMBL29778075 0.77
Caprolactam SCHEMBL5740141 0.76 FKBP5 (0.52) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL790879 0.74 KDM4E (0.37) FKBP5CRBNKDM4EGAAPOLB
SCHEMBL2139086 0.73
SCHEMBL9265060 0.73
SCHEMBL9265057 0.73

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
EP-4329888-A1 2-AMINOBENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Amgen Inc. (US) 2024-03-06 EP claimed
WO-2022232332-A1 2-AMINOBENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMGEN INC. (US) 2022-11-03 WO claimed
EP-4476204-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS Theras, Inc. (US) 2024-12-18 EP disclosed
EP-4329888-A1 2-AMINOBENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF Amgen Inc. (US) 2024-03-06 EP disclosed
WO-2023244604-A1 TETRAHYDROPYRIDOPYRIMIDINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-21 WO disclosed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
WO-2022232332-A1 2-AMINOBENZOTHIAZOLE COMPOUNDS AND METHODS OF USE THEREOF AMGEN INC. (US) 2022-11-03 WO disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed
EP-3930717-A1 INHIBITOR OF BTK AND MUTANTS THEREOF Guangzhou Lupeng Pharmaceutical Company Ltd. (CN) 2022-01-05 EP disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 WO disclosed
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
US-8008291-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5 receptor antagonists MIMETICA PTY LTD (AU) 2011-08-30 US disclosed
US-20110059952-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2011-03-10 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-20080300237-A1 Pharmaceutically Active Diazepanes OBERHAUSER BERNDT 2008-12-04 US disclosed
CN-101163685-A Pharmaceutically active diazepanes NOVARTIS AG NOVARTIS PHARMA GM (CH) 2008-04-16 CN disclosed
EP-1874739-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES Novartis AG (CH) 2008-01-09 EP disclosed
WO-2006111371-A1 PHARMACEUTICALLY ACTIVE DIAZEPANES NOVARTIS AG (CH) 2006-10-26 WO disclosed
WO-2006065826-A2 PROCESS TO CHIRAL BETA AMINO ACID DERIVATIVES BY ASYMMETRIC HYDROGENATION MERCK & CO., INC. (US) 2006-06-22 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 (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-20080300237-A1 Pharmaceutically Active Diazepanes VCAM1, ICAM1, CD69 FKBP5 2983/4885CRBN 2036/4885KDM4E 2996/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R FKBP5 314/4885CRBN 4455/4885KDM4E 3039/4885
US-20090221557-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R FKBP5 364/4885CRBN 3596/4885KDM4E 1387/4885
US-20110059952-A1 3-SUBSTITUTED-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R FKBP5 431/4885CRBN 3851/4885KDM4E 1637/4885

“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.