SCHEMBL5116036

SCHEMBL5116036

O=C(Nc1ccc(Cl)cc1)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
LMNA P02545 3/20 0.46
TRPV1 Q8NER1 2/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
ALOX5 P09917 1/20 0.45
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 3/20 0.44
TRPM8 Q7Z2W7 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL5130969 0.95 KMT2A (0.51) ALDH1A1LMNATRPV1GAAMAPK1
SCHEMBL5128916 0.95 TRPM8 (0.52) ALDH1A1LMNATRPV1GAAMAPK1
SCHEMBL5117044 0.95 TRPM8 (0.52) ALDH1A1LMNATRPV1GAAMAPK1
SCHEMBL5120013 0.94 ALDH1A1 (0.49) ALDH1A1LMNAGAAMAPK1EPHX2
SCHEMBL5124900 0.94 ALDH1A1 (0.52) ALDH1A1LMNATRPV1GAAMAPK1
SCHEMBL5121281 0.93 NPC1 (0.51) ALDH1A1TRPV1MAPK1NPC1RAB9A
SCHEMBL5117038 0.92 EPHX2 (0.56) TRPV1EPHX2TRPM8
SCHEMBL5124965 0.92 MAPT (0.55) ALDH1A1MAPK1MAPTTSHRKMT2A
SCHEMBL5129092 0.92 CNR2 (0.53) ALDH1A1TRPV1NPC1RAB9AEPHX2
SCHEMBL5130723 0.92 CNR2 (0.53) ALDH1A1TRPV1NPC1RAB9AEPHX2

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 ALDH1A1 511/4885LMNA 875/4885TRPV1 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.