SCHEMBL3237381

SCHEMBL3237381

O=C1CCCCC(c2ccccc2)N1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
SLC18A3 Q16572 1/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
MCL1 Q07820 1/20 0.39
HPGD P15428 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL15874659 1.00 DDB1 (0.43) DDB1CRBNNOS1NOS2SLC18A3
SCHEMBL1274980 0.94 DDB1 (0.44) DDB1CRBNNOS1PDE4APDE4B
SCHEMBL8177567 0.86 DDB1 (0.52) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL3584879 0.86 DDB1 (0.52) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL16796843 0.86 DDB1 (0.52) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL7946211 0.84 NPC1 (0.39) DDB1CRBNPDE4APDE4BPDE4C
SCHEMBL17515347 0.78 KMT2A (0.36) DDB1CRBN
SCHEMBL17498024 0.78 KMT2A (0.36) DDB1CRBN
SCHEMBL7631291 0.78 NOS1 (0.39) NOS1NOS2SLC18A3
SCHEMBL7671819 0.77 DDB1 (0.54) DDB1CRBNPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337575-B1 MODIFIED POLYLACTAM KONINK DSM N V (NL) 2007-08-29 EP claimed
US-5338861-A Cleaving lactam N-carboxylate or lactim O-carboxylate with elimination of carbon dioxide by heating in gas or liquid phase BAYER AKTIENGESELLSCHAFT (DE) 1994-08-16 US claimed
CN-113501786-B Nylon monomer and preparation method thereof 广西师范大学 2023-03-03 CN disclosed
WO-2021127643-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
CN-108774172-A A kind of preparation method of caprolactam and N substitution caprolactams 铜仁学院 2018-11-09 CN disclosed
EP-1765805-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
EP-1615914-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
EP-1765805-A4 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-08-26 EP disclosed
US-7491713-B2 CGRP receptor antagonists MERCK + CO., INC. (US) 2009-02-17 US disclosed
EP-1615914-A4 CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-03-12 EP disclosed
US-20070287696-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-13 US disclosed
WO-1995011231-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G. D. SEARLE & CO. (US) 1995-04-27 WO disclosed
EP-0625145-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1994-11-23 EP disclosed
US-5338861-A Cleaving lactam N-carboxylate or lactim O-carboxylate with elimination of carbon dioxide by heating in gas or liquid phase BAYER AKTIENGESELLSCHAFT (DE) 1994-08-16 US disclosed
WO-1993015059-A1 3-PHENYLUREIDO-AZEPIN-2-ONES AND -BENZAZEPIN-2-ONES USEFUL AS CHOLECYSTOKININ ANTAGONISTS PFIZER INC. (US) 1993-08-05 WO disclosed
EP-0531673-A1 Process for the preparation of N-substituted lactams BAYER AG (DE) 1993-03-17 EP disclosed
US-4680392-A Substituted caprolactam derivatives as antihypertensives MERCK & CO., INC. (US) 1987-07-14 US disclosed
US-4629787-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS MERCK & CO., INC. (US) 1986-12-16 US disclosed
EP-0046291-B1 SUBSTITUTED CAPROLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND INTERMEDIATES MERCK & CO. INC. (US) 1985-12-27 EP disclosed
EP-0046291-A2 Substituted caprolactam derivatives as antihypertensives, process for preparing them, pharmaceutical composition containing them, and intermediates MERCK & CO. INC. (US) 1982-02-24 EP 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 (1 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-20070287696-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR DDB1 1440/4885CRBN 3217/4885NOS1 2228/4885

“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.