SCHEMBL2449013

SCHEMBL2449013

Nc1nc(-c2ccccc2C(F)(F)F)cc(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
PSMD14 O00487 1/20 0.45
PRKACA P17612 1/20 0.45
CASP6 P55212 1/20 0.45
KMT2A Q03164 1/20 0.45
BACE1 P56817 1/20 0.43
EIF4E P06730 1/20 0.42
ACP1 P24666 2/20 0.41
ATR Q13535 2/20 0.41
KMO O15229 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
CTSK P43235 1/20 0.39
CRHR1 P34998 1/20 0.39
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL2445316 0.90 MEN1 (0.42) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL2444481 0.86 CRHR1 (0.47) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL3646079 0.86 ACHE (0.51) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL14472099 0.83 EIF4E (0.43) MEN1KMT2ABACE1EIF4EACP1
SCHEMBL2451219 0.81 CNR2 (0.48) MEN1KMT2ACYP1A2CYP3A4
SCHEMBL2312779 0.81 EIF4E (0.44) MEN1PSMD14PRKACACASP6KMT2A
SCHEMBL2442608 0.79 CRHR1 (0.43) EIF4EACP1KMOCA1CA2
SCHEMBL2445461 0.79 CTSK (0.44) MEN1KMT2ABACE1EIF4EACP1
SCHEMBL2442498 0.77 DPP4 (0.40) MEN1KMT2ABACE1CRHR1CYP1A2
SCHEMBL9406471 0.77 BACE1 (0.40) MEN1PSMD14PRKACACASP6KMT2A

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 MEN1 4006/4885PSMD14 3513/4885PRKACA 963/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 MEN1 4006/4885PSMD14 3513/4885PRKACA 963/4885
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 MEN1 4006/4885PSMD14 3513/4885PRKACA 963/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 MEN1 4006/4885PSMD14 3513/4885PRKACA 963/4885

“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.