SCHEMBL5125567

SCHEMBL5125567

O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
MAPT P10636 3/20 0.51
PDGFRB P09619 1/20 0.47
ALDH1A1 P00352 2/20 0.46
EPHX2 P34913 1/20 0.46
LMNA P02545 1/20 0.46
OPRD1 P41143 1/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
LTA4H P09960 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 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
SCHEMBL5127038 0.94 FAAH (0.52) FAAHMAPTPDGFRBALDH1A1EPHX2
SCHEMBL5129128 0.94 MAPT (0.51) FAAHMAPTPDGFRBALDH1A1OPRD1
SCHEMBL5123461 0.92 OPRD1 (0.50) FAAHMAPTPDGFRBALDH1A1LMNA
SCHEMBL5130797 0.92 MAPT (0.47) FAAHMAPTPDGFRBALDH1A1EPHX2
SCHEMBL5117139 0.92 TRPM8 (0.49) FAAHMAPTEPHX2
SCHEMBL5012687 0.87 RAB9A (0.47) MAPTALDH1A1EPHX2LMNARAB9A
SCHEMBL5123486 0.86 ALDH1A1 (0.59) FAAHMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL16175730 0.86 TRPM8 (0.49) FAAHMAPTALDH1A1EPHX2SMN1; SMN2
SCHEMBL5130354 0.86 ALDH1A1 (0.54) FAAHMAPTALDH1A1SMN1; SMN2
SCHEMBL5119952 0.84 MAPT (0.54) FAAHMAPTALDH1A1RAB9ASMN1; SMN2

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 2115/4885MAPT 161/4885PDGFRB 2494/4885

“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.