SCHEMBL839896

SCHEMBL839896

CC(Nc1ccccc1)(C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
NPC1 O15118 2/20 0.50
MTOR P42345 1/20 0.47
EPHX2 P34913 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
P2RX1 P51575 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
KCNK3 O14649 1/20 0.43
NAMPT P43490 1/20 0.43
IDH1 O75874 1/20 0.43
FAAH O00519 1/20 0.43
PDK1 Q15118 2/20 0.42
PDK2 Q15119 2/20 0.42
PDK3 Q15120 2/20 0.42
PDK4 Q16654 2/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL363022 0.88 HDAC3 (0.46) RAB9AEPHX2MEN1MAPTKMT2A
SCHEMBL9290177 0.85 NPC1 (0.46) RAB9ANPC1MEN1MAPTKMT2A
SCHEMBL840864 0.81 MAPT (0.53) RAB9ANPC1MAPTTHRB
SCHEMBL28250047 0.79 NPC1 (0.57) RAB9ANPC1MAPTP2RX1TRPV1
SCHEMBL28250048 0.78 RAB9A (0.51) RAB9ANPC1MAPTKMT2AP2RX1
SCHEMBL23137094 0.77 MTOR (0.45) RAB9ANPC1MTORL3MBTL1MEN1
SCHEMBL11669642 0.77 PTGS1 (0.43) RAB9ANPC1TRPV1
SCHEMBL11756838 0.76 ALDH1A1 (0.40) RAB9ANPC1L3MBTL1MEN1KMT2A
SCHEMBL15204405 0.74 PDK1 (0.50) RAB9AEPHX2MEN1MAPTKMT2A
SCHEMBL5311319 0.74 KIF11 (0.51) RAB9ANPC1MAPTTRPV1

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 RAB9A 1607/4885NPC1 1284/4885MTOR 3721/4885
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM6 RAB9A 1607/4885NPC1 1284/4885MTOR 3721/4885

“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.