SCHEMBL5129728

SCHEMBL5129728

Cc1ccc(C2=NOC3(CCN(C(=O)Nc4ccc(C(C)(C)C)cc4)CC3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.47
TRPM8 Q7Z2W7 2/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 3/20 0.43
PANK3 Q9H999 1/20 0.43
EPHX2 P34913 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TRPA1 O75762 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL5129811 1.00 TRPV1 (0.47) TRPV1TRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL5130874 0.96 TRPV1 (0.48) TRPV1TRPM8CNR2PANK3EPHX2
SCHEMBL5124232 0.91 TRPM8 (0.52) TRPV1TRPM8EPHX2
SCHEMBL5130664 0.91 CNR1 (0.53) TRPV1TRPM8CNR2EPHX2
SCHEMBL5125805 0.91 CNR1 (0.53) TRPV1TRPM8CNR2EPHX2
SCHEMBL5129092 0.91 CNR2 (0.53) TRPV1TRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL5014504 0.91 TRPM8 (0.47) TRPV1TRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL16175638 0.91 TRPV1 (0.52) TRPV1TRPM8EPHX2TRPA1KCNH2
SCHEMBL5130723 0.91 CNR2 (0.53) TRPV1TRPM8NPC1RAB9ASMN1; SMN2
SCHEMBL5124887 0.91 TRPM8 (0.47) TRPV1TRPM8NPC1RAB9ASMN1; SMN2

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 TRPV1 57/4885TRPM8 426/4885NPC1 785/4885

“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.