SCHEMBL5117038

SCHEMBL5117038

O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.56
TRPM8 Q7Z2W7 11/20 0.55
TRPV1 Q8NER1 2/20 0.50
S1PR2 O95136 1/20 0.46

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
SCHEMBL5117447 0.95 TRPM8 (0.56) EPHX2TRPM8TRPV1
SCHEMBL5116036 0.92 ALDH1A1 (0.47) EPHX2TRPM8TRPV1
SCHEMBL5129051 0.91 TRPM8 (0.57) EPHX2TRPM8TRPV1S1PR2
SCHEMBL5130723 0.90 CNR2 (0.53) EPHX2TRPM8TRPV1
SCHEMBL5129092 0.90 CNR2 (0.53) EPHX2TRPM8TRPV1
SCHEMBL5130664 0.90 CNR1 (0.53) EPHX2TRPM8TRPV1
SCHEMBL5125805 0.90 CNR1 (0.53) EPHX2TRPM8TRPV1
SCHEMBL5125042 0.90 TRPM8 (0.52) EPHX2TRPM8TRPV1
SCHEMBL5124232 0.90 TRPM8 (0.52) EPHX2TRPM8TRPV1
SCHEMBL5130518 0.90 TRPM8 (0.56) EPHX2TRPM8TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
US-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 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 (1 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI EPHX2 4251/4885TRPM8 426/4885TRPV1 57/4885

“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.