SCHEMBL5115751

SCHEMBL5115751

CSc1ccccc1NC(=O)N1CCC2(CC1)CC(c1ccc(C(C)(C)C)cc1)=NO2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
TRPV1 Q8NER1 2/20 0.39
KMT2A Q03164 2/20 0.37
NPY5R Q15761 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CETP P11597 1/20 0.35

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
SCHEMBL5125248 0.92 NPY5R (0.45) FAAHNPY5RTRPM8
SCHEMBL5121005 0.90 FAAH (0.50) FAAHKMT2ANPY5RLMNATSHR
SCHEMBL5117764 0.90 FAAH (0.43) FAAHKMT2ATRPM8LMNATSHR
SCHEMBL5117071 0.89 NPY5R (0.43) FAAHKMT2ANPY5RLMNAKDM4E
SCHEMBL5125657 0.89 P2RX7 (0.44) FAAHTRPV1KMT2ANPY5RP2RX7
SCHEMBL5124332 0.88 DGAT1 (0.43) TRPV1KMT2ANPY5RTRPM8LMNA
SCHEMBL5125820 0.88 ALDH1A1 (0.45) FAAHTRPV1NPY5RTRPM8LMNA
SCHEMBL5124434 0.88 TRPM8 (0.41) FAAHTRPV1KMT2ANPY5RTRPM8
SCHEMBL5130574 0.87 TAAR1 (0.42) TRPV1KMT2A
SCHEMBL5012968 0.86 CHRM3 (0.39) KMT2ALMNATP53NPSR1HSD17B10

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 FAAH 2115/4885TRPV1 57/4885KMT2A 4006/4885

“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.