SCHEMBL5117518

SCHEMBL5117518

O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)CC(c1ccc(Cl)cc1)=NO2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.51
PDGFRB P09619 5/20 0.47
ALDH1A1 P00352 2/20 0.46
USP2 O75604 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 1/20 0.45
NPY5R Q15761 2/20 0.44
S1PR2 O95136 1/20 0.43

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
SCHEMBL5120013 0.91 ALDH1A1 (0.49) FAAHALDH1A1CYP2D6MAPK1CYP3A4
SCHEMBL5124900 0.91 ALDH1A1 (0.52) FAAHALDH1A1CYP2D6MAPK1SMN1; SMN2
SCHEMBL5119701 0.91 FAAH (0.48) FAAHPDGFRBALDH1A1USP2CYP2D6
SCHEMBL5116036 0.90 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2NPY5R
SCHEMBL5124965 0.89 MAPT (0.55) ALDH1A1USP2CYP2D6MAPK1SMN1; SMN2
SCHEMBL5127038 0.88 FAAH (0.52) FAAHPDGFRBALDH1A1
SCHEMBL5120023 0.88 TRPM8 (0.52) PDGFRB
SCHEMBL5130404 0.88 FAAH (0.51) FAAHPDGFRBALDH1A1USP2CYP2D6
SCHEMBL16175726 0.87 MAPT (0.42) FAAHALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5123362 0.87 S1PR2 (0.43) FAAHALDH1A1MAPK1SMN1; SMN2NPY5R

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 FAAH 2115/4885PDGFRB 2494/4885ALDH1A1 511/4885

“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.