SCHEMBL5125592

SCHEMBL5125592

CCCc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
OPRM1 P35372 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5125665 0.93 KMT2A (0.43) TRPV1KMT2AALDH1A1KDM4ETAAR1
SCHEMBL5129619 0.93 TRPV1 (0.48) TRPV1KMT2AALDH1A1MAPTTAAR1
SCHEMBL5117109 0.93 NPY5R (0.41) ALDH1A1TAAR1OPRM1SIGMAR1
SCHEMBL5130944 0.91 KMT2A (0.37) TRPV1KMT2AALDH1A1MAPTTAAR1
SCHEMBL5117142 0.90 NPY5R (0.44) KMT2A
SCHEMBL5121396 0.89 NPY5R (0.47) KMT2AALDH1A1GAAMAPTHTT
SCHEMBL5129887 0.86 KMT2A (0.45) TRPV1KMT2AALDH1A1MAPTTAAR1
SCHEMBL5015740 0.86 KMT2A (0.40) KMT2AHTTL3MBTL1
SCHEMBL5129055 0.85 TAAR1 (0.43) TRPV1KMT2AALDH1A1TAAR1
SCHEMBL5129993 0.85 FAAH (0.48) TRPV1KMT2AGAA

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 57/4885KMT2A 4006/4885ALDH1A1 511/4885

“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.