SCHEMBL718342

SCHEMBL718342

CCC(C)OP(=O)(O)Cc1sc2ccccc2c1CN(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 17/20 0.35
CYP2D6 P10635 10/20 0.35
CHRM1 P11229 7/20 0.35
KCNH2 Q12809 6/20 0.35
CYP3A4 P08684 2/20 0.35
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
PTPN1 P18031 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL717816 0.86 CNR2 (0.34) PTPN1
SCHEMBL717800 0.82 TAS1R3 (0.37) PTPN1
SCHEMBL718050 0.81 PTGS2 (0.36) HRH1CYP2D6CHRM1KCNH2CYP3A4
SCHEMBL716544 0.81 HRH1 (0.35) HRH1CYP2D6CHRM1KCNH2CYP3A4
SCHEMBL10245742 0.76 HRH1 (0.38) HRH1CYP2D6CHRM1CYP3A4F2
SCHEMBL717402 0.72 TRPM8 (0.35) HRH1CYP2D6CHRM1KCNH2F2
SCHEMBL14035764 0.69 HRH1 (0.41) HRH1CYP2D6CHRM1CYP3A4F2
SCHEMBL1407856 0.68 TRPA1 (0.42)
SCHEMBL915513 0.67 HSD17B10 (0.45) CYP2D6
SCHEMBL916315 0.66 TSHR (0.49) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
US-8558011-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2013-10-15 US disclosed
EP-2029614-B1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS COLBURN RAYMOND W (US) 2012-07-19 US disclosed
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-01 US disclosed
US-7897781-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 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 (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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 HRH1 100/4885CYP2D6 1625/4885CHRM1 235/4885
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 HRH1 100/4885CYP2D6 1625/4885CHRM1 235/4885
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 HRH1 100/4885CYP2D6 1625/4885CHRM1 235/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 HRH1 100/4885CYP2D6 1625/4885CHRM1 235/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 HRH1 100/4885CYP2D6 1625/4885CHRM1 235/4885

“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.