SCHEMBL5129055

SCHEMBL5129055

CCc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.43
NPY5R Q15761 2/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5117109 0.94 NPY5R (0.41) TAAR1NPY5RALDH1A1RXFP1TDP1
SCHEMBL5129619 0.92 TRPV1 (0.48) TAAR1ALDH1A1MEN1KMT2ATRPV1
SCHEMBL5129887 0.91 KMT2A (0.45) TAAR1ALDH1A1MEN1KMT2ATRPV1
SCHEMBL5130574 0.89 TAAR1 (0.42) TAAR1ALDH1A1MEN1KMT2ATRPV1
SCHEMBL5124967 0.88 KMT2A (0.45) NPY5RALDH1A1KMT2ATRPV1TP53
SCHEMBL5119717 0.88 NPY5R (0.46) NPY5RALDH1A1TRPV1LMNATP53
SCHEMBL5126950 0.88 NPY5R (0.45) TAAR1NPY5RALDH1A1MEN1KMT2A
SCHEMBL5117071 0.86 NPY5R (0.43) NPY5RALDH1A1MEN1KMT2ALMNA
SCHEMBL5116150 0.86 TRPV1 (0.45) NPY5RALDH1A1TRPV1LMNARXFP1
SCHEMBL5130668 0.86 TRPV1 (0.45) NPY5RALDH1A1KMT2ATRPV1LMNA

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 TAAR1 778/4885NPY5R 1148/4885ALDH1A1 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.