SCHEMBL5117469

SCHEMBL5117469

O=C(NC1CCCCC1)N1CCC2(CC1)CC(c1ccc(C(F)(F)F)cc1)=NO2

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
EPHX2 P34913 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
RORC P51449 1/20 0.40

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
SCHEMBL5124828 0.90 MEN1 (0.44) CNR2ALDH1A1POLBEPHX2LMNA
SCHEMBL5130209 0.88 MAPT (0.47) TRPV1CNR1CNR2ALDH1A1POLB
SCHEMBL5131333 0.88 MAPT (0.47) TRPV1CNR1CNR2ALDH1A1POLB
SCHEMBL5115843 0.87 MAPT (0.46) TRPV1ALDH1A1LMNA
SCHEMBL5128813 0.87 LMNA (0.54) CNR1CNR2ALDH1A1LMNATP53
SCHEMBL5124905 0.87 LMNA (0.53) CNR1CNR2LMNATP53
SCHEMBL5130161 0.87 SMN1; SMN2 (0.51) CNR1CNR2ALDH1A1POLBEPHX2
SCHEMBL5012897 0.87 TRPV1 (0.42) TRPV1EPHX2LMNA
SCHEMBL16175808 0.83 TRPM8 (0.47) TRPV1EPHX2TRPM8
SCHEMBL5011104 0.83 LMNA (0.43) TRPV1EPHX2LMNA

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 57/4885CNR1 869/4885CNR2 1205/4885

“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.