SCHEMBL5117764

SCHEMBL5117764

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5121005 0.93 FAAH (0.50) FAAHKMT2AMEN1CYP2C19TSHR
SCHEMBL5117071 0.91 NPY5R (0.43) FAAHKMT2AMEN1HPGDLMNA
SCHEMBL5115751 0.90 FAAH (0.42) FAAHKMT2ATRPM8CYP2C19TSHR
SCHEMBL5129689 0.89 KMT2A (0.47) FAAHKMT2ALMNA
SCHEMBL5125248 0.89 NPY5R (0.45) FAAHTRPM8
SCHEMBL5124361 0.87 KMT2A (0.47) KMT2ATRPM8LMNA
SCHEMBL5119673 0.87 KMT2A (0.44) FAAHKMT2AKDM4E
SCHEMBL5122007 0.87 TRPM8 (0.48) FAAHKMT2AMEN1TRPM8HPGD
SCHEMBL5129887 0.86 KMT2A (0.45) KMT2AMEN1
SCHEMBL5012856 0.86 KMT2A (0.42) KMT2AMEN1CYP2C19CYP1A2POLB

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 2115/4885KMT2A 4006/4885MEN1 1834/4885

“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.