SCHEMBL2451219

SCHEMBL2451219

Nc1nc(-c2ccccc2C(F)(F)F)cc(N2CCOCC2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
SLC6A9 P48067 1/20 0.45
MAPK1 P28482 4/20 0.43
PRKDC P78527 1/20 0.43
CYP1A2 P05177 3/20 0.43
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
CYP2D6 P10635 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
PIK3CA P42336 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL2449017 0.84 CNR2 (0.48) CNR2ALDH1A1MAPTSLC6A9MAPK1
SCHEMBL2449013 0.81 MEN1 (0.45) CYP1A2CYP3A4KMT2AMEN1
SCHEMBL14880452 0.78 CNR2 (0.62) CNR2ALDH1A1MAPK1PRKDCCYP1A2
SCHEMBL2445316 0.77 MEN1 (0.42) KMT2AMEN1
SCHEMBL2444481 0.74 CRHR1 (0.47) MAPTMAPK1TSHRCYP2C19CYP2D6
SCHEMBL2444689 0.71 CYP1A2 (0.49) CNR2ALDH1A1MAPTMAPK1CYP1A2
SCHEMBL2312779 0.69 EIF4E (0.44) MAPTLMNAKMT2AMEN1
SCHEMBL3646079 0.69 ACHE (0.51) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL27842475 0.68 ALDH1A1 (0.54) ALDH1A1MAPTMAPK1CYP1A2CYP3A4
SCHEMBL16179656 0.68 CNR2 (0.49) CNR2ALDH1A1MAPK1PRKDCCYP1A2

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 CNR2 192/4885ALDH1A1 2666/4885MAPT 2093/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CNR2 192/4885ALDH1A1 2666/4885MAPT 2093/4885
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CNR2 192/4885ALDH1A1 2666/4885MAPT 2093/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CNR2 192/4885ALDH1A1 2666/4885MAPT 2093/4885

“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.