SCHEMBL2449017

SCHEMBL2449017

Nc1cc(-c2ccccc2C(F)(F)F)nc(N2CCOCC2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
MAPK1 P28482 4/20 0.48
MAPT P10636 6/20 0.48
ALDH1A1 P00352 5/20 0.48
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
ALOX15 P16050 2/20 0.47
TSHR P16473 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
MGMT P16455 1/20 0.46
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C9 P11712 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PRKDC P78527 1/20 0.43

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
SCHEMBL2444689 0.88 CYP1A2 (0.49) CNR2MAPK1MAPTALDH1A1CYP1A2
SCHEMBL2451219 0.84 CNR2 (0.48) CNR2MAPK1MAPTALDH1A1CYP1A2
SCHEMBL2442608 0.74 CRHR1 (0.43) MAPK1MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL2445461 0.74 CTSK (0.44) KMT2AMEN1
SCHEMBL2449013 0.74 MEN1 (0.45) CYP1A2CYP3A4KMT2AMEN1
SCHEMBL2451906 0.73 MAPT (0.50) MAPK1MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL14880452 0.71 CNR2 (0.62) CNR2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL2445316 0.70 MEN1 (0.42) KMT2AMEN1
SCHEMBL3760937 0.68 NOS1 (0.68) CNR2MAPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL2448335 0.68 MGMT (0.36) MAPTALDH1A1CYP1A2CYP3A4CYP2C19

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 192/4885MAPK1 2251/4885MAPT 2093/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CNR2 192/4885MAPK1 2251/4885MAPT 2093/4885
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CNR2 192/4885MAPK1 2251/4885MAPT 2093/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 CNR2 192/4885MAPK1 2251/4885MAPT 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.