SCHEMBL5116150

SCHEMBL5116150

O=C(Nc1ccccc1F)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.45
KDM4E B2RXH2 2/20 0.44
NPY5R Q15761 3/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
FAAH O00519 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5124292 0.92 FAAH (0.48) TRPV1KDM4ENPY5ROPRM1OPRD1
SCHEMBL5119673 0.90 KMT2A (0.44) TRPV1KDM4ENPY5ROPRM1OPRD1
SCHEMBL5119717 0.90 NPY5R (0.46) TRPV1KDM4ENPY5RFAAHLMNA
SCHEMBL5116118 0.88 TRPM8 (0.50) NPY5RFAAHEPHX2GPR142
SCHEMBL5130668 0.88 TRPV1 (0.45) TRPV1NPY5RNPC1RAB9ALMNA
SCHEMBL5124967 0.88 KMT2A (0.45) TRPV1KDM4ENPY5RFAAHMAPT
SCHEMBL5124434 0.87 TRPM8 (0.41) TRPV1KDM4ENPY5ROPRM1OPRD1
SCHEMBL5117450 0.87 MEN1 (0.51) TRPV1KDM4ENPY5RLMNAMAPT
SCHEMBL5117071 0.86 NPY5R (0.43) KDM4ENPY5RFAAHNPC1RAB9A
SCHEMBL5129055 0.86 TAAR1 (0.43) TRPV1NPY5RLMNAALDH1A1RXFP1

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 TRPV1 57/4885KDM4E 4068/4885NPY5R 1148/4885

“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.