SCHEMBL838971

SCHEMBL838971

O=C(C(O)c1ccc(C(F)(F)F)cc1)N1CCCC1c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DPP4 P27487 2/20 0.39
FAP Q12884 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
TRPM8 Q7Z2W7 2/20 0.39
ROCK2 O75116 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
UGCG Q16739 1/20 0.38
ADAM17 P78536 1/20 0.37

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
SCHEMBL9285831 0.86 MEN1 (0.43) SLC6A9ROCK2SCDSCD5
SCHEMBL840847 0.85 RIPK1 (0.51) SLC6A9CES2CES1ADAM17
SCHEMBL840944 0.83 TRPM8 (0.46) SLC6A9DPP4FAPDPP8DPP9
SCHEMBL839780 0.83 SLC6A9 (0.42) SLC6A9TRPM8ROCK2SCDSCD5
SCHEMBL859083 0.83 TRPM8 (0.46) SLC6A9DPP4FAPDPP8DPP9
SCHEMBL839785 0.83 DPP4 (0.46) SLC6A9DPP4FAPDPP8DPP9
SCHEMBL840848 0.83 DPP4 (0.40) SLC6A9DPP4FAPDPP8DPP9
SCHEMBL839041 0.80 SLC6A9 (0.38) SLC6A9DPP4FAPDPP8DPP9
SCHEMBL840618 0.79 RAB9A (0.39) SLC6A9DPP4FAPDPP8DPP9
SCHEMBL840505 0.79 OPRD1 (0.55) SLC6A9DPP4FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331499-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
EP-2331499-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
US-8324217-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-8324217-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS COLBURN RAYMOND W (US) 2012-05-31 US disclosed
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS COLBURN RAYMOND W (US) 2012-05-31 US disclosed
US-8143259-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-03-27 US disclosed
US-8143259-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-03-27 US disclosed
US-8143259-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-03-27 US disclosed
EP-2331499-A1 COLD MENTHOL RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2011-06-15 EP disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 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 (2 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-20100048589-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM6 SLC6A9 3926/4885CES2 997/4885CES1 1074/4885
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM6 SLC6A9 3926/4885CES2 997/4885CES1 1074/4885

“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.