SCHEMBL5124880

SCHEMBL5124880

O=C(Nc1ccccc1Cl)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
TRPV1 Q8NER1 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 3/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
KIT P10721 1/20 0.45
NPY5R Q15761 2/20 0.45
SMO Q99835 4/20 0.44
P2RX7 Q99572 1/20 0.43
ERG P11308 1/20 0.43

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
SCHEMBL5119717 0.94 NPY5R (0.46) FAAHTRPV1ALDH1A1KDM4EHPGD
SCHEMBL5122007 0.92 TRPM8 (0.48) FAAHALDH1A1KDM4EHPGDMAPT
SCHEMBL5125820 0.89 ALDH1A1 (0.45) FAAHTRPV1ALDH1A1KDM4EHPGD
SCHEMBL5125133 0.89 TRPM8 (0.52) FAAHTRPV1ALDH1A1KDM4EHPGD
SCHEMBL5119954 0.88 KMT2A (0.58) ALDH1A1MAPTTP53HTTHSD17B10
SCHEMBL5129993 0.87 FAAH (0.48) FAAHTRPV1
SCHEMBL5129812 0.87 LMNA (0.45) TRPV1KDM4EMAPTNPY5R
SCHEMBL5124292 0.87 FAAH (0.48) FAAHTRPV1KDM4ENPY5R
SCHEMBL5129742 0.85 TRPM8 (0.51) ALDH1A1TP53HSD17B10POLBNPY5R
SCHEMBL5130354 0.85 ALDH1A1 (0.54) FAAHALDH1A1HPGDMAPTPOLB

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 57/4885ALDH1A1 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.