SCHEMBL3245199

SCHEMBL3245199

N[C@@H]1CCCCN(Cc2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ACHE P22303 1/20 0.46
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
F2 P00734 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
APP P05067 1/20 0.42
POLB P06746 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPY1R P25929 1/20 0.42

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
SCHEMBL3618774 1.00 L3MBTL1 (0.54) L3MBTL1ALDH1A1KMT2AMEN1ACHE
SCHEMBL3245339 1.00 L3MBTL1 (0.54) L3MBTL1ALDH1A1KMT2AMEN1ACHE
Hydrochloric Acid SCHEMBL12494265 0.98 L3MBTL1 (0.53) L3MBTL1ALDH1A1KMT2AMEN1ACHE
Hydrochloric Acid SCHEMBL12494266 0.98 L3MBTL1 (0.53) L3MBTL1ALDH1A1KMT2AMEN1ACHE
SCHEMBL12527918 0.98 L3MBTL1 (0.56) L3MBTL1ALDH1A1KMT2AMEN1ACHE
SCHEMBL6202280 0.95 L3MBTL1 (0.51) L3MBTL1ALDH1A1KMT2AMEN1ACHE
SCHEMBL5220521 0.91 SRC (0.50) L3MBTL1ALDH1A1ACHECYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4491429 0.90 SRC (0.49) L3MBTL1ALDH1A1ACHECYP2D6CYP2C19
SCHEMBL7933318 0.89 ALDH1A1 (0.47) L3MBTL1ALDH1A1KMT2AMEN1DDB1
SCHEMBL4224772 0.89 ALDH1A1 (0.47) L3MBTL1ALDH1A1KMT2AMEN1DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994009-A Preparation method of mono-benzyl amino caprolactam, application thereof and functional nylon-6 中国石油化工股份有限公司 2024-11-22 CN disclosed
EP-1615914-B1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2010-05-05 EP disclosed
US-7491713-B2 CGRP receptor antagonists MERCK + CO., INC. (US) 2009-02-17 US disclosed
US-7491713-B2 CGRP receptor antagonists MERCK + CO., INC. (US) 2009-02-17 US disclosed
EP-1633348-B1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARM INC (US) 2008-10-08 EP disclosed
US-7432379-B2 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. (US) 2008-10-07 US disclosed
US-7417152-B2 4-bromo-5-(2-chloro-benzoylamino)-1H-pyrazole-3-carboxylic acid amide derivatives and related compounds as bradykinin B1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. (US) 2008-08-26 US disclosed
US-20070287696-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-13 US disclosed
US-20070287696-A1 Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2007-12-13 US disclosed
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-7205292-B2 Piperidines containing a lactam ring and a quinolinone, benzimidazolone, quinazolinone or benzodiazepinone group, e.g. N-[3R,7R)-1-(Cyclopropylmethyl)-2-oxo-7-phenylazepan-3-yl]-4-(2-oxo-1,4-dihydroquinazolin-3 (2H-yl)piperidine-1-carboxamide; treating headaches, migraine headaches and cluster headaches MERCK & CO., INC. (US) 2007-04-17 US disclosed
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases ELAN PHARMACEUTICALS, INC. 2006-12-14 US disclosed
US-20060194783-A1 Cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-08-31 US disclosed
EP-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 EP disclosed
US-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists ELAN PHARMACEUTICALS, INC. 2005-01-27 US disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 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 (5 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-20050020659-A1 Substituted pyrazole derivatives and related compounds as bradykinin B1 receptor antagonists BDKRB1, BDKRB2, BRS3 L3MBTL1 1165/4885ALDH1A1 3054/4885KMT2A 3940/4885
US-20060194783-A1 Cgrp receptor antagonists BDKRB1, CCKBR, BDKRB2 L3MBTL1 3743/4885ALDH1A1 3052/4885KMT2A 3534/4885
US-20070287696-A1 Cgrp Receptor Antagonists BDKRB1, BDKRB2, CCKBR L3MBTL1 2604/4885ALDH1A1 2654/4885KMT2A 4291/4885
US-20060281733-A1 4-Bromo-5-(2-chloro-benzoylamino)-1h-pyrazole-3-carvoxylic acid amide derivatives and related compounds as bradykinin b1 receptor antagonists for the treatment of inflammatory diseases BDKRB1, BDKRB2, CNR1 L3MBTL1 3437/4885ALDH1A1 2017/4885KMT2A 2589/4885
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 L3MBTL1 880/4885ALDH1A1 1286/4885KMT2A 3541/4885

“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.