SCHEMBL5117701

SCHEMBL5117701

O=C(C=Cc1ccc(C(F)(F)F)nc1N1CCCCC1)N1CCC2(CC1)CC(c1cccc(F)c1)=NO2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.45
ATM Q13315 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 1/20 0.34
CYP2C9 P11712 1/20 0.33
NPY5R Q15761 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5011265 1.00 TRPV1 (0.45) TRPV1ATMSCN10ACA1CA2
SCHEMBL5014538 0.92 TRPV1 (0.45) TRPV1ATMSCN10ACYP2C9KDM4E
SCHEMBL5130718 0.92 TRPV1 (0.45) TRPV1ATMSCN10ACYP2C9KDM4E
SCHEMBL5122154 0.92 TRPV1 (0.44) TRPV1ATMSCN10ACA1CA2
SCHEMBL5122157 0.92 TRPV1 (0.44) TRPV1ATMSCN10ACA1CA2
SCHEMBL5129267 0.83 TRPV1 (0.44) TRPV1MAPTL3MBTL1CYP2C9KDM4E
SCHEMBL5012286 0.83 TRPV1 (0.44) TRPV1MAPTL3MBTL1CYP2C9KDM4E
SCHEMBL5012871 0.79 TRPV1 (0.42) TRPV1ATMSCN10AMAPTCYP2C9
SCHEMBL5129089 0.79 TRPV1 (0.42) TRPV1ATMSCN10AMAPTCYP2C9
SCHEMBL5130578 0.75 ALDH1A1 (0.49) ATMCA1CA2MAPTL3MBTL1

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 3 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

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 57/4885ATM 4036/4885SCN10A 6/4885

“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.