SCHEMBL4813136

SCHEMBL4813136

CC1CCC(C(C)C)C(C(=O)NCc2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.52
HPGD P15428 2/20 0.52
TRPM8 Q7Z2W7 4/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 5/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 1/20 0.49
EPHX1 P07099 1/20 0.48
SERPINE1 P05121 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL24540769 0.92 SERPINE1 (0.48) MC4RHPGDTRPM8ALDH1A1TSHR
SCHEMBL24677538 0.91 CYP3A4 (0.47) MC4RHPGDTRPM8ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29868258 0.90 CYP3A4 (0.47) MC4RHPGDTRPM8ALDH1A1TSHR
SCHEMBL4886347 0.89 SERPINE1 (0.59) HPGDTRPM8ALDH1A1SMN1; SMN2EPHX1
SCHEMBL31448505 0.89 ALDH1A1 (0.55) HPGDTRPM8ALDH1A1LMNASMN1; SMN2
SCHEMBL15133430 0.89 ALDH1A1 (0.55) HPGDTRPM8ALDH1A1LMNASMN1; SMN2
SCHEMBL24540254 0.88 TAAR1 (0.54) MC4RTRPM8CYP2C19EPHX1NPSR1
SCHEMBL1629039 0.88 TAAR1 (0.54) MC4RTRPM8CYP2C19EPHX1NPSR1
SCHEMBL3392794 0.88 TAAR1 (0.54) MC4RTRPM8CYP2C19EPHX1NPSR1
SCHEMBL24677412 0.88 TRPM8 (0.50) HPGDTRPM8ALDH1A1SMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090240223-A1 ABSORBENT ARTICLE COMPRISING LOTION COMPOSITION COMPRISING A COOLING AGENT PROCTER & GAMBLE COMPANY, THE 2009-09-24 US disclosed
US-20080300314-A1 Cooling Compounds GIVAUDAN SA (CH) 2008-12-04 US disclosed
US-7417048-B2 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets WEI EDWARD T 2008-08-26 US disclosed
US-7414152-B2 e. g. N-(4-cyanomethylphenyl) p-menthanecarboxamide; cooling agent in cosmetics and food industries; with additional cooling compound such as menthol, menthone, isopulegol GIVAUDAN, SA (CH) 2008-08-19 US disclosed
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith WEI EDWARD T 2007-03-08 US disclosed
US-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods WEI EDWARD T (US) 2005-08-25 US disclosed
US-20050159394-A1 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets WEI EDWARD T (US) 2005-07-21 US 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-20050187211-A1 N-arylsalkyl-carboxamide compositions and methods OPRL1, TRPV1, TRPA1 MC4R 1478/4885HPGD 1226/4885TRPM8 13/4885
US-20070053834-A1 Radioligands for the TRP-M8 receptor and methods therewith GPR68, TRPM8, OPRL1 MC4R 213/4885HPGD 4139/4885TRPM8 2/4885
US-20080300314-A1 Cooling Compounds TAS2R42, TAS2R4, TAS2R41 MC4R 84/4885HPGD 1148/4885TRPM8 73/4885
US-20050159394-A1 Aryl-substituted derivatives of cycloalkyl and branched chain alkyl carboxylic acids useful as antinociceptive drugs for peripheral targets OPRL1, OPRK1, OPRD1 MC4R 430/4885HPGD 1412/4885TRPM8 588/4885

“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.