SCHEMBL5126950

SCHEMBL5126950

CCc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.45
TRPM8 Q7Z2W7 8/20 0.44
EPHX2 P34913 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TRPV1 Q8NER1 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
SCHEMBL5117142 0.94 NPY5R (0.44) NPY5RTRPM8EPHX2MEN1KMT2A
SCHEMBL5130574 0.92 TAAR1 (0.42) TAAR1MEN1KMT2AALDH1A1TRPV1
SCHEMBL5125201 0.90 MEN1 (0.52) NPY5RTRPM8MEN1KMT2ATRPV1
SCHEMBL5129619 0.90 TRPV1 (0.48) TAAR1MEN1KMT2AALDH1A1TRPV1
SCHEMBL5117143 0.89 NPY5R (0.47) NPY5RTRPM8EPHX2MEN1KMT2A
SCHEMBL5129887 0.89 KMT2A (0.45) TAAR1MEN1KMT2AALDH1A1TRPV1
SCHEMBL5116118 0.88 TRPM8 (0.50) NPY5RTRPM8EPHX2
SCHEMBL5129055 0.88 TAAR1 (0.43) NPY5RTAAR1MEN1KMT2AALDH1A1
SCHEMBL5125248 0.87 NPY5R (0.45) NPY5RTRPM8EPHX2
SCHEMBL5124662 0.87 TRPM8 (0.51) NPY5RTRPM8EPHX2

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 NPY5R 1148/4885TRPM8 426/4885EPHX2 4251/4885

“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.