SCHEMBL2450150

SCHEMBL2450150

Cn1nc(C(C)(C)C)c(Cl)c1-c1nc2cc(-c3ccccc3C(F)(F)F)nc(OCC=O)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.48
KDM4E B2RXH2 1/20 0.32
ACP1 P24666 2/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
CRHR1 P34998 1/20 0.32
HSD11B1 P28845 3/20 0.31
NPY5R Q15761 1/20 0.31
NR3C1 P04150 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL2445724 0.88 TRPM8 (0.47) TRPM8KDM4EACP1NR3C1
SCHEMBL2445245 0.88 TRPM8 (0.51) TRPM8KDM4EACP1ADORA2ACRHR1
SCHEMBL2445464 0.88 TRPM8 (0.49) TRPM8KDM4EACP1ADORA2AADORA2B
SCHEMBL2443853 0.88 TRPM8 (0.59) TRPM8ACP1CRHR1HSD11B1NPY5R
SCHEMBL19580128 0.87 TRPM8 (0.46) TRPM8KDM4EACP1ADORA2AADORA2B
Hydrochloric Acid SCHEMBL19580137 0.87 TRPM8 (0.59) TRPM8ACP1CRHR1HSD11B1NPY5R
SCHEMBL2446656 0.87 TRPM8 (0.59) TRPM8ACP1CRHR1HSD11B1NPY5R
SCHEMBL2446661 0.87 TRPM8 (0.59) TRPM8ACP1CRHR1HSD11B1NPY5R
SCHEMBL2448023 0.87 TRPM8 (0.47) TRPM8KDM4EACP1ADORA2AADORA2B
SCHEMBL12331742 0.87 TRPM8 (0.47) TRPM8KDM4EACP1ADORA2AADORA2B

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 11 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
EP-2542552-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2013-01-09 EP disclosed
WO-2011109587-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-09 WO 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 TRPM8 1/4885KDM4E 1215/4885ACP1 2784/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885KDM4E 1215/4885ACP1 2784/4885
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885KDM4E 1215/4885ACP1 2784/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885KDM4E 1215/4885ACP1 2784/4885

“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.