SCHEMBL6407099

SCHEMBL6407099

O=C(COc1ccc2c(c1)CCC2)N(Cc1cccs1)c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 17/20 0.68
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL29692011 0.87 TRPM8 (0.67) TRPM8
SCHEMBL2731319 0.87 TRPM8 (0.67) TRPM8
SCHEMBL30582854 0.87 TRPM8 (0.70) TRPM8
SCHEMBL2730206 0.87 TRPM8 (0.70) TRPM8
SCHEMBL2730817 0.84 TRPM8 (0.70) TRPM8
SCHEMBL18199129 0.84 TRPM8 (0.71) TRPM8
SCHEMBL30582851 0.84 TRPM8 (0.71) TRPM8
SCHEMBL30582869 0.84 TRPM8 (0.70) TRPM8
SCHEMBL6400864 0.84 TRPM8 (0.74) TRPM8CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL30582823 0.83 TRPM8 (0.83) TRPM8CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11234450-B2 Preparations having a cooling effect SYMRISE AG (DE) 2022-02-01 US disclosed
US-10953007-B2 Compounds useful as modulators of TRPM8 FIRMENICH INCORPORATED (US) 2021-03-23 US disclosed
EP-3470407-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2019-04-17 EP disclosed
US-10016418-B2 Compounds useful as modulators of TRPM8 Seaomyx, Inc. (US) 2018-07-10 US disclosed
US-10016418-B2 Compounds useful as modulators of TRPM8 Seaomyx, Inc. (US) 2018-07-10 US disclosed
US-20180055069-A1 PREPARATIONS SYMRISE AG (DE) 2018-03-01 US disclosed
US-20180055069-A1 PREPARATIONS SYMRISE AG (DE) 2018-03-01 US disclosed
US-20180049449-A1 PREPARATIONS SYMRISE AG (DE) 2018-02-22 US disclosed
US-20180049449-A1 PREPARATIONS SYMRISE AG (DE) 2018-02-22 US disclosed
US-20160317532-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2016-11-03 US disclosed
US-20160317532-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2016-11-03 US disclosed
US-9394287-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2016-07-19 US disclosed
US-9394287-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2016-07-19 US disclosed
US-20150313820-A1 PREPARATIONS SYMRISE AG (DE) 2015-11-05 US disclosed
US-20150313820-A1 PREPARATIONS SYMRISE AG (DE) 2015-11-05 US disclosed
WO-2012061698-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-09-13 WO disclosed
WO-2012061698-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2012-05-10 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 (7 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-10953007-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPM6 TRPM8 1/4885NPC1 1050/4885RAB9A 1469/4885
US-11234450-B2 Preparations having a cooling effect CRAT, CPT2, CPT1A TRPM8 60/4885NPC1 1221/4885RAB9A 3995/4885
US-10016418-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPM6 TRPM8 1/4885NPC1 1050/4885RAB9A 1469/4885
US-20160317532-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPM6 TRPM8 1/4885NPC1 1050/4885RAB9A 1469/4885
US-20180049449-A1 PREPARATIONS CRAT, ACAT2, TAS2R50 TRPM8 101/4885NPC1 2008/4885RAB9A 3798/4885
US-20180055069-A1 PREPARATIONS CRAT, ACAT2, TAS2R50 TRPM8 101/4885NPC1 2008/4885RAB9A 3798/4885
US-20150313820-A1 PREPARATIONS CRAT, ACAT2, TAS2R50 TRPM8 101/4885NPC1 2008/4885RAB9A 3798/4885

“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.