SCHEMBL839339

SCHEMBL839339

O=C1Nc2ccccc2CCC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 5/20 0.47
CRBN Q96SW2 5/20 0.47
NPC1 O15118 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
KIF11 P52732 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CYP19A1 P11511 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL15874905 0.76 CYP19A1 (0.67) HTR2AHTR2CHTR2BHRH3CYP19A1
SCHEMBL15874904 0.76 CYP19A1 (0.67) HTR2AHTR2CHTR2BHRH3CYP19A1
SCHEMBL7287889 0.75 MAPT (0.47) NPC1PARP1PARP2MAPT
SCHEMBL26613398 0.74 PARP1 (0.53) PARP1PARP2HTR2AHTR2CHTR2B
SCHEMBL29746286 0.74 PARP1 (0.53) PARP1PARP2HTR2AHTR2CHTR2B
SCHEMBL17634287 0.73 PARP1 (0.48) DDB1CRBNPARP1PARP2HTR2C
SCHEMBL839747 0.72 NPC1 (0.43) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL12023808 0.71 NPC1 (0.52) NPC1MAPK13MAPK12MAPK11MAPK14
SCHEMBL2309985 0.70 HTR2C (0.50) DDB1CRBNPARP1PARP2HTR2C
SCHEMBL859143 0.68 NPC1 (0.52) 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 13 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
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 DDB1 3098/4885CRBN 4484/4885NPC1 1284/4885
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM6 DDB1 3098/4885CRBN 4484/4885NPC1 1284/4885

“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.