SCHEMBL5125657

SCHEMBL5125657

Cc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(C)(C)C)cc1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
KMT2A Q03164 2/20 0.43
TRPV1 Q8NER1 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
FAAH O00519 1/20 0.40
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
NPY5R Q15761 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL5117143 0.91 NPY5R (0.47) KMT2ATRPV1NPY5R
SCHEMBL5129689 0.90 KMT2A (0.47) P2RX7KMT2ATRPV1SMN1; SMN2FAAH
SCHEMBL5129993 0.90 FAAH (0.48) KMT2ATRPV1SMN1; SMN2FAAHGAA
SCHEMBL5125820 0.90 ALDH1A1 (0.45) TRPV1FAAHGAALMNANPY5R
SCHEMBL5124434 0.90 TRPM8 (0.41) KMT2ATRPV1FAAHNPY5R
SCHEMBL5124332 0.90 DGAT1 (0.43) KMT2ATRPV1LMNANPY5R
SCHEMBL5130574 0.89 TAAR1 (0.42) KMT2ATRPV1
SCHEMBL5115751 0.89 FAAH (0.42) P2RX7KMT2ATRPV1FAAHLMNA
SCHEMBL5124967 0.88 KMT2A (0.45) P2RX7KMT2ATRPV1SMN1; SMN2FAAH
SCHEMBL5129525 0.88 MEN1 (0.49) KMT2ATRPV1SMN1; SMN2GAALMNA

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 P2RX7 1174/4885KMT2A 4006/4885TRPV1 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.