SCHEMBL5117071

SCHEMBL5117071

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.43
FAAH O00519 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
HTT P42858 1/20 0.37
SMO Q99835 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
SCHEMBL5121005 0.92 FAAH (0.50) NPY5RFAAHLMNAMEN1KMT2A
SCHEMBL5117764 0.91 FAAH (0.43) FAAHLMNAMEN1KMT2AHPGD
SCHEMBL5115751 0.89 FAAH (0.42) NPY5RFAAHLMNAKMT2AKDM4E
SCHEMBL5124967 0.88 KMT2A (0.45) NPY5RFAAHMAPTKMT2ASMN1; SMN2
SCHEMBL5119717 0.88 NPY5R (0.46) NPY5RFAAHMAPTLMNAALDH1A1
SCHEMBL5125248 0.88 NPY5R (0.45) NPY5RFAAH
SCHEMBL5129055 0.86 TAAR1 (0.43) NPY5RLMNAMEN1KMT2AALDH1A1
SCHEMBL5130668 0.86 TRPV1 (0.45) NPY5RMAPTLMNANPC1RAB9A
SCHEMBL5116150 0.86 TRPV1 (0.45) NPY5RFAAHMAPTLMNANPC1
SCHEMBL16175715 0.86 MAPT (0.40) MAPTLMNAMEN1NPC1RAB9A

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 NPY5R 1148/4885FAAH 2115/4885MAPT 161/4885

“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.