SCHEMBL5129092

SCHEMBL5129092

CC(C)(C)c1ccc(NC(=O)N2CCC3(CC2)CC(c2ccc(Cl)cc2)=NO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.53
CNR1 P21554 1/20 0.53
TRPV1 Q8NER1 7/20 0.47
TRPM8 Q7Z2W7 3/20 0.46
TRPA1 O75762 1/20 0.46
KCNH2 Q12809 1/20 0.46
EPHX2 P34913 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PANK3 Q9H999 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
SCHEMBL5130723 1.00 CNR2 (0.53) CNR2CNR1TRPV1TRPM8TRPA1
SCHEMBL5130874 0.95 TRPV1 (0.48) CNR2CNR1TRPV1TRPM8TRPA1
SCHEMBL5116036 0.92 ALDH1A1 (0.47) TRPV1TRPM8EPHX2ALDH1A1MAPT
SCHEMBL5129811 0.91 TRPV1 (0.47) CNR2TRPV1TRPM8TRPA1KCNH2
SCHEMBL5129728 0.91 TRPV1 (0.47) CNR2TRPV1TRPM8TRPA1KCNH2
SCHEMBL5124061 0.90 NPC1 (0.48) CNR2CNR1TRPV1TRPM8TRPA1
SCHEMBL5116190 0.90 NPC1 (0.48) CNR2CNR1TRPV1TRPM8TRPA1
SCHEMBL5014504 0.90 TRPM8 (0.47) CNR2CNR1TRPV1TRPM8EPHX2
SCHEMBL5130664 0.90 CNR1 (0.53) CNR2CNR1TRPV1TRPM8EPHX2
SCHEMBL5124887 0.90 TRPM8 (0.47) CNR2CNR1TRPV1TRPM8EPHX2

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 CNR2 1205/4885CNR1 869/4885TRPV1 57/4885

“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.