SCHEMBL716544

SCHEMBL716544

CCC(C)OP(=O)(O)Cc1sc2ccccc2c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 14/20 0.35
CYP2D6 P10635 10/20 0.35
CHRM1 P11229 7/20 0.35
KCNH2 Q12809 7/20 0.35
CNR2 P34972 4/20 0.35
CNR1 P21554 2/20 0.35
CYP3A4 P08684 2/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
G6PD P11413 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL717800 0.86 TAS1R3 (0.37) CNR2CNR1NPC1ALDH1A1CYP1A2
SCHEMBL718050 0.85 PTGS2 (0.36) HRH1CYP2D6CHRM1KCNH2CNR2
SCHEMBL717816 0.83 CNR2 (0.34) CNR2CNR1NPC1ALDH1A1CYP1A2
SCHEMBL718342 0.81 HRH1 (0.35) HRH1CYP2D6CHRM1KCNH2CYP3A4
SCHEMBL716543 0.77 HRH1 (0.35) HRH1CYP2D6CHRM1KCNH2CNR2
SCHEMBL14156519 0.72 CNR2 (0.43) HRH1CYP2D6CHRM1KCNH2CNR2
SCHEMBL916315 0.72 TSHR (0.49) CYP2D6G6PDKMT2A
SCHEMBL1407856 0.71 TRPA1 (0.42) CYP1A2KMT2A
SCHEMBL714982 0.71 HRH1 (0.42) HRH1CYP2D6CHRM1KCNH2CNR2
SCHEMBL916701 0.71 KDM4E (0.36) ALDH1A1

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 12 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
EP-2029614-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-03-04 EP 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
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 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-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.