SCHEMBL5118049

SCHEMBL5118049

O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
TRPV1 Q8NER1 4/20 0.48
MAPT P10636 2/20 0.48
SLC6A3 Q01959 1/20 0.47
OTUD7B Q6GQQ9 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GRIN2B Q13224 3/20 0.44
CDK1 P06493 1/20 0.44
IGF1R P08069 1/20 0.44
FGFR1 P11362 1/20 0.44
BRAF P15056 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
JAK1 P23458 1/20 0.44
CDK2 P24941 1/20 0.44
AXL P30530 1/20 0.44

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
SCHEMBL5117757 0.94 TRPM8 (0.51) EPHX2TRPV1MAPTSLC6A3GRIN2B
SCHEMBL5130726 0.93 MAPT (0.49) EPHX2TRPV1MAPTSLC6A3SMN1; SMN2
SCHEMBL5125060 0.93 EPHX2 (0.51) EPHX2TRPV1MAPTSLC6A3OTUD7B
SCHEMBL5129898 0.91 GRIN2B (0.53) EPHX2TRPV1MAPTSLC6A3SMN1; SMN2
SCHEMBL5117038 0.87 EPHX2 (0.56) EPHX2TRPV1TRPM8
SCHEMBL16175605 0.87 OTUD7B (0.44) EPHX2MAPTOTUD7BSMN1; SMN2NPSR1
SCHEMBL5116036 0.86 ALDH1A1 (0.47) EPHX2TRPV1MAPTSMN1; SMN2NPSR1
SCHEMBL5129622 0.86 GRIN2B (0.55) EPHX2TRPV1MAPTSMN1; SMN2NPSR1
SCHEMBL5130357 0.85 TRPV1 (0.49) EPHX2TRPV1MAPTSMN1; SMN2LMNA
SCHEMBL5125617 0.85 CYP1A2 (0.44) EPHX2MAPTTP53TRPM8

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 EPHX2 4251/4885TRPV1 57/4885MAPT 161/4885

“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.