SCHEMBL5120040

SCHEMBL5120040

O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.49
ALDH1A1 P00352 2/20 0.45
S1PR2 O95136 1/20 0.44
MAPT P10636 1/20 0.43
IDO1 P14902 3/20 0.43
TDO2 P48775 3/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRNA7 P36544 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
CSNK1E P49674 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPY5R Q15761 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
SCHEMBL5124450 0.96 TRPM8 (0.50) TRPM8ALDH1A1EPHX2POLBL3MBTL1
SCHEMBL5124255 0.93 TRPM8 (0.47) TRPM8ALDH1A1MAPTPOLBL3MBTL1
SCHEMBL5117586 0.93 TRPM8 (0.47) TRPM8ALDH1A1EPHX2POLBL3MBTL1
SCHEMBL5129742 0.93 TRPM8 (0.51) TRPM8ALDH1A1EPHX2POLBL3MBTL1
SCHEMBL5125133 0.87 TRPM8 (0.52) TRPM8ALDH1A1EPHX2NPY5R
SCHEMBL5117038 0.87 EPHX2 (0.56) TRPM8S1PR2EPHX2
SCHEMBL16175664 0.87 POLB (0.41) ALDH1A1MAPTIDO1TDO2POLB
SCHEMBL5124902 0.86 CYP3A4 (0.53) TRPM8ALDH1A1MAPTPOLBCSNK1E
SCHEMBL5130357 0.85 TRPV1 (0.49) TRPM8S1PR2MAPTEPHX2MEN1
SCHEMBL5125617 0.85 CYP1A2 (0.44) TRPM8S1PR2MAPTEPHX2POLB

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 TRPM8 426/4885ALDH1A1 511/4885S1PR2 1461/4885

“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.