SCHEMBL2446463

SCHEMBL2446463

Cc1nc(-c2ccccc2C(F)(F)F)nc2nc(-c3cc(C(C)(C)C)no3)[nH]c12.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.38
TRPM8 Q7Z2W7 3/20 0.38
TRPV1 Q8NER1 2/20 0.38
S1PR1 P21453 4/20 0.36
ADORA2B P29275 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
ADORA2A P29274 1/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 2/20 0.33
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
CYP2C9 P11712 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL2446470 1.00 TRPA1 (0.38) TRPA1TRPM8TRPV1S1PR1ADORA2B
SCHEMBL16789219 0.88 TRPA1 (0.37) TRPA1TRPM8TRPV1S1PR1ADORA2B
SCHEMBL2448358 0.84 TRPA1 (0.38) TRPA1TRPM8TRPV1S1PR1ADORA2B
SCHEMBL2444547 0.82 TRPA1 (0.38) TRPA1TRPM8TRPV1ADORA2BADORA1
SCHEMBL15617833 0.81 TRPA1 (0.36) TRPA1TRPM8TRPV1ADORA2BADORA1
SCHEMBL12301772 0.80 TRPA1 (0.36) TRPA1TRPM8TRPV1CYP1A2CYP2D6
SCHEMBL11899402 0.80 TRPA1 (0.39) TRPA1TRPM8TRPV1S1PR1ADORA2B
SCHEMBL11899403 0.78 TRPA1 (0.39) TRPA1TRPM8TRPV1S1PR1ADORA2B
SCHEMBL2447649 0.78 TRPA1 (0.40) TRPA1TRPM8TRPV1HDAC3HDAC7
SCHEMBL2448248 0.76 ACP1 (0.36) TRPA1TRPM8TRPV1ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2542552-B1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-15 EP disclosed
US-9718820-B2 Substituted aza-bicyclic imidazole derivatives useful TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-01 US disclosed
US-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-10-20 US disclosed
US-9409915-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-08-09 US disclosed
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 US disclosed
US-9023846-B2 Substituted AZA-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-05 US disclosed
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-06-05 US disclosed
US-8680098-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-03-25 US disclosed
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 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 (4 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-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPA1 3/4885TRPM8 1/4885TRPV1 2/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPA1 3/4885TRPM8 1/4885TRPV1 2/4885
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPA1 3/4885TRPM8 1/4885TRPV1 2/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPA1 3/4885TRPM8 1/4885TRPV1 2/4885

“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.