SCHEMBL5012273

SCHEMBL5012273

COc1cccc(C2=NOC3(CCN(C(=O)/C=C/c4ccc(NS(C)(=O)=O)c(F)c4)CC3)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
ACHE P22303 2/20 0.39
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
NPY5R Q15761 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
PKM P14618 1/20 0.36
RECQL P46063 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
SCHEMBL5118466 1.00 GPR183 (0.43) GPR183TRPV1ACHENPC1ALDH1A1
SCHEMBL5065842 0.91 TRPV1 (0.51) GPR183TRPV1
SCHEMBL5065839 0.91 TRPV1 (0.51) GPR183TRPV1
SCHEMBL5139252 0.85 TRPV1 (0.45) TRPV1ALDH1A1HTTRECQL
SCHEMBL5011284 0.83 TRPV1 (0.54) TRPV1
SCHEMBL5129935 0.81 GPR183 (0.44) GPR183ACHENPC1ALDH1A1HTT
SCHEMBL5120073 0.80 NPC1 (0.48) GPR183TRPV1ACHENPC1ALDH1A1
SCHEMBL5130500 0.79 GPR183 (0.42) GPR183ACHENPC1ALDH1A1HTT
SCHEMBL5014516 0.79 GPR183 (0.42) GPR183ACHENPC1ALDH1A1HTT
SCHEMBL5123886 0.78 NPC1 (0.43) GPR183TRPV1NPC1ALDH1A1RAB9A

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 6 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
EP-1888596-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2008-02-20 EP claimed
WO-2006122770-A1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS Grünenthal GmbH (DE) 2006-11-23 WO claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP 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 GPR183 1976/4885TRPV1 57/4885ACHE 21/4885

“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.