SCHEMBL2720169

SCHEMBL2720169

c1ccc(NCc2cccs2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.58
ESR1 P03372 1/20 0.57
POLB P06746 1/20 0.57
STAT3 P40763 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
ESR2 Q92731 1/20 0.57
FABP1 P07148 1/20 0.56
FABP6 P51161 1/20 0.56
CYP1A2 P05177 10/20 0.53
CYP2D6 P10635 10/20 0.53
CYP3A4 P08684 9/20 0.53
ALDH1A1 P00352 8/20 0.53
CYP2C19 P33261 8/20 0.53
TSHR P16473 6/20 0.53
MAPK1 P28482 4/20 0.53
LMNA P02545 3/20 0.53
GBA1 P04062 2/20 0.53
ALOX15 P16050 5/20 0.51
HSD17B10 Q99714 5/20 0.51
CLK4 Q9HAZ1 5/20 0.51

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
SCHEMBL27909931 0.82 HDAC3 (0.58) SMN1; SMN2CYP1A2CYP2D6CYP3A4ALDH1A1
SCHEMBL5868200 0.80 CYP1A2 (0.56) CYP1A2CYP2D6CYP3A4ALDH1A1CYP2C19
SCHEMBL2719343 0.80 ALDH1A1 (0.58) CYP1A2CYP2D6CYP3A4ALDH1A1CYP2C19
SCHEMBL15069620 0.76 CXCR4 (0.58) CXCR4POLBFABP1FABP6CYP1A2
SCHEMBL4778498 0.76 CYP1A2 (0.47) SMN1; SMN2CYP1A2CYP2D6CYP3A4ALDH1A1
SCHEMBL17997542 0.75 CHRM2 (0.51) ESR1POLBSTAT3SMN1; SMN2ESR2
SCHEMBL3452402 0.74 CYP1A2 (0.66) SMN1; SMN2CYP1A2CYP2D6CYP3A4ALDH1A1
SCHEMBL2716338 0.74 TSHR (0.51) POLBSMN1; SMN2CYP1A2CYP2D6CYP3A4
SCHEMBL29351380 0.74 CXCR4 (1.00) CXCR4FABP1FABP6CYP1A2ALDH1A1
SCHEMBL589266 0.74 CXCR4 (1.00) CXCR4FABP1FABP6CYP1A2ALDH1A1

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
EP-3470407-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2024-01-24 EP 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
EP-2635572-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-10-17 EP disclosed
US-20180289704-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2018-10-11 US disclosed
US-10016418-B2 Compounds useful as modulators of TRPM8 Seaomyx, Inc. (US) 2018-07-10 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-20130324557-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. (US) 2013-12-05 US disclosed
EP-2635572-A2 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2013-09-11 EP disclosed
CN-103288722-A High-selectivity synthesis method of secondary amine UNIV WENZHOU 2013-09-11 CN disclosed
CN-103201279-A Compounds useful as modulators of TRPM8 SENOMYX INC 2013-07-10 CN 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
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 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 (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-10953007-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPM6 CXCR4 3758/4885ESR1 3125/4885POLB 4439/4885
US-10016418-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM7, TRPM6 CXCR4 3758/4885ESR1 3125/4885POLB 4439/4885
US-20160317532-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPM6 CXCR4 3758/4885ESR1 3125/4885POLB 4439/4885
US-20130324557-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPM6 CXCR4 3758/4885ESR1 3125/4885POLB 4439/4885
US-20180289704-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM7, TRPM6 CXCR4 3758/4885ESR1 3125/4885POLB 4439/4885

“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.