SCHEMBL5127089

SCHEMBL5127089

CC(C)(C)c1ccc(C2=NOC3(CCN(C(=O)Nc4ccc(Cl)cc4C(F)(F)F)CC3)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 4/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 0.40
RBP4 P02753 4/20 0.39
CNR2 P34972 2/20 0.38
EPHX2 P34913 2/20 0.37
GRIN2B Q13224 1/20 0.37
CNR1 P21554 1/20 0.36

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
SCHEMBL5125617 0.93 CYP1A2 (0.44) TRPM8CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL5130915 0.91 RAB9A (0.43) TRPM8CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL5124525 0.90 CSNK1D (0.45) TRPM8CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL5129525 0.88 MEN1 (0.49) TRPM8
SCHEMBL16175588 0.88 RAB9A (0.38) CYP1A2CYP2D6CYP2C19RAB9A
SCHEMBL5117586 0.86 TRPM8 (0.47) TRPM8CYP1A2CYP2D6CYP2C19CSNK1E
SCHEMBL5129898 0.85 GRIN2B (0.53) TRPM8CNR2EPHX2GRIN2B
SCHEMBL5119757 0.84 RBP4 (0.44) TRPM8CYP1A2CYP2C19RAB9ACSNK1D
SCHEMBL5117450 0.84 MEN1 (0.51) RBP4
SCHEMBL5129092 0.84 CNR2 (0.53) TRPM8RAB9ACNR2EPHX2CNR1

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 TRPM8 426/4885CYP1A2 2142/4885CYP2D6 1290/4885

“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.