SCHEMBL5124351

SCHEMBL5124351

CCc1ccc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(C)(C)C)cc2)=NO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
TRPV1 Q8NER1 7/20 0.44
MAPT P10636 3/20 0.43
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 5/20 0.41
CNR1 P21554 2/20 0.41
TP53 P04637 1/20 0.41
PANK3 Q9H999 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL5130874 0.93 TRPV1 (0.48) TRPV1MAPTEPHX2ALDH1A1CNR2
SCHEMBL5129725 0.92 EPHX2 (0.50) NPC1RAB9AKMT2AEPHX2FAAH
SCHEMBL5124960 0.89 NPC1 (0.50) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL5129728 0.89 TRPV1 (0.47) NPC1RAB9ATRPV1EPHX2CNR2
SCHEMBL5129811 0.89 TRPV1 (0.47) NPC1RAB9ATRPV1EPHX2CNR2
SCHEMBL5120010 0.89 FAAH (0.42) TRPV1MAPTFAAH
SCHEMBL16175638 0.89 TRPV1 (0.52) TRPV1EPHX2ALDH1A1
SCHEMBL5125805 0.89 CNR1 (0.53) TRPV1MAPTEPHX2CNR2CNR1
SCHEMBL5129092 0.89 CNR2 (0.53) NPC1RAB9ATRPV1MAPTEPHX2
SCHEMBL5124887 0.89 TRPM8 (0.47) NPC1RAB9AKMT2ATRPV1MAPT

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 NPC1 785/4885RAB9A 2540/4885KMT2A 4006/4885

“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.