SCHEMBL5120786

SCHEMBL5120786

Cc1cccc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)=NO3)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.50
ALDH1A1 P00352 1/20 0.48
TRPM8 Q7Z2W7 12/20 0.48
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
EPHX2 P34913 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
SCHEMBL5117051 0.92 ALDH1A1 (0.49) TACR1ALDH1A1RAB9ACYP1A2
SCHEMBL5121358 0.92 TRPM8 (0.50) TRPM8USP2CYP1A2CYP2C9EPHX2
SCHEMBL5124367 0.91 EPHX2 (0.47) TACR1TRPM8USP2CYP1A2CYP2C9
SCHEMBL5115812 0.91 ALDH1A1 (0.54) TACR1ALDH1A1TRPM8RAB9ACYP1A2
SCHEMBL5124412 0.90 USP2 (0.55) ALDH1A1TRPM8USP2CYP1A2CYP2C9
SCHEMBL5124886 0.89 EPHX2 (0.52) ALDH1A1TRPM8EPHX2
SCHEMBL5117042 0.89 TRPM8 (0.51) TRPM8USP2CYP1A2CYP2C9EPHX2
SCHEMBL5124232 0.89 TRPM8 (0.52) TRPM8PAX8EPHX2
SCHEMBL5120071 0.89 ALDH1A1 (0.54) ALDH1A1RAB9A
SCHEMBL5130518 0.89 TRPM8 (0.56) TRPM8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TACR1 337/4885ALDH1A1 511/4885TRPM8 426/4885

“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.