SCHEMBL839747

SCHEMBL839747

O=C1Nc2ccccc2CCC1(Cl)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 1/20 0.41
KIF11 P52732 6/20 0.40
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
DAO P14920 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
HSD11B1 P28845 1/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
BRD4 O60885 1/20 0.34
CREBBP Q92793 1/20 0.34
PDE2A O00408 2/20 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
SCHEMBL839339 0.72 DDB1 (0.47) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL7426931 0.72 NPC1 (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11797195 0.67 MAPT (0.59) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL21452416 0.67 SLC6A3 (0.44) OPRM1OPRL1DAOPARP1HSD11B1
SCHEMBL4703029 0.66 NPC1 (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL5999181 0.66 NPC1 (0.53) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL30364301 0.65 KCNQ3 (0.39) KIF11PARP1
SCHEMBL6469101 0.64 NPC1 (0.72) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL11541480 0.63 CYBB (0.49) NPC1MAPTKIF11AHRPDK2
SCHEMBL4703028 0.63 NPC1 (0.50) NPC1MAPK13MAPK12MAPK11MAPK14

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 NPC1 1284/4885MAPK13 3828/4885MAPK12 3386/4885
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM6 NPC1 1284/4885MAPK13 3828/4885MAPK12 3386/4885

“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.