SCHEMBL840338

SCHEMBL840338

O=C(C(Nc1ccccc1F)c1cc2ccccc2s1)N1CCCC1c1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
SCD O00767 1/20 0.37
SCD5 Q86SK9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ROCK2 O75116 2/20 0.36
AADAT Q8N5Z0 1/20 0.34
CHRNA7 P36544 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
ADAM17 P78536 2/20 0.34
PPIB P23284 1/20 0.33
PPIA P62937 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL841463 0.85 ADAM17 (0.37) HRH3ROCK2ADAM17
SCHEMBL878783 0.85 ADAM17 (0.36) HRH3L3MBTL1ADAM17
SCHEMBL839987 0.83 ROCK2 (0.40) L3MBTL1ROCK2ADAM17ALDH1A1NPSR1
SCHEMBL859226 0.78 PPIB (0.39) SCDSCD5L3MBTL1ROCK2ADAM17
SCHEMBL840035 0.78 PPIB (0.39) SCDSCD5L3MBTL1ROCK2ADAM17
SCHEMBL9288752 0.78 PPIB (0.40) SCDSCD5L3MBTL1ROCK2ADAM17
SCHEMBL9289714 0.78 PPIB (0.40) SCDSCD5L3MBTL1ROCK2ADAM17
SCHEMBL1937979 0.78 LMNA (0.43) SCDSCD5L3MBTL1ROCK2ADAM17
SCHEMBL859083 0.76 TRPM8 (0.46) PPIBPPIATDP1
SCHEMBL840944 0.76 TRPM8 (0.46) PPIBPPIATDP1

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 17 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-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-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 HRH3 88/4885SCD 2104/4885SCD5 2217/4885
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM6 HRH3 88/4885SCD 2104/4885SCD5 2217/4885

“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.