SCHEMBL1086102

SCHEMBL1086102

N#Cc1cccc(NC(=O)N2CCC3(CC2)CN(Cc2ccccc2)C(=O)O3)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.56
CYP3A4 P08684 9/20 0.55
ALDH1A1 P00352 8/20 0.55
CYP2C19 P33261 8/20 0.55
USP2 O75604 6/20 0.55
HIF1A Q16665 2/20 0.54
MAPK1 P28482 6/20 0.54
CYP1A2 P05177 7/20 0.54
CYP2D6 P10635 5/20 0.52
TSHR P16473 3/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP2C9 P11712 5/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL4258709 0.87 LMNA (0.46) FAAHCYP3A4ALDH1A1CYP2C19USP2
SCHEMBL1086439 0.85 MAPK1 (0.48) FAAHCYP3A4ALDH1A1CYP2C19USP2
SCHEMBL1086354 0.81 SIRT2 (0.42) FAAHCYP3A4ALDH1A1CYP2C19USP2
SCHEMBL1086353 0.81 SIRT2 (0.45) FAAHCYP3A4ALDH1A1CYP2C19USP2
SCHEMBL4266724 0.79 LMNA (0.40) FAAHCYP3A4ALDH1A1CYP2C19USP2
SCHEMBL1086171 0.78 CYP3A4 (0.45) FAAHCYP3A4ALDH1A1CYP2C19USP2
SCHEMBL4260720 0.78 MEN1 (0.46) FAAHCYP3A4ALDH1A1CYP2C19USP2
SCHEMBL1085842 0.77 CYP2D6 (0.48) CYP3A4ALDH1A1CYP2C19USP2MAPK1
SCHEMBL1086699 0.77 SIRT2 (0.41) FAAHALDH1A1CYP2C19MAPK1CYP1A2
SCHEMBL1085855 0.77 RIPK1 (0.49) CYP3A4ALDH1A1CYP2C19CYP2D6CYP2C9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
US-8153795-B2 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-compounds and the use thereof for producing drugs GRUENENTHAL GMBH (DE) 2012-04-10 US disclosed
EP-1910381-B1 SUBSTITUTED 1-OXA-3,8-DIAZASPIRO[4.5]-DECAN-2-ON- COMPOUNDS AND THE USE THEREOF FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-06-03 EP disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 US disclosed
US-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs GRUENENTHAL GMBH (DE) 2009-04-23 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-20090105290-A1 Substituted 1-oxa-3,8-diazaspiro[4.5]-decan-2-one-Compounds and the Use Thereof for Producing Drugs DDO, DAO, OTC FAAH 2616/4885CYP3A4 60/4885ALDH1A1 220/4885

“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.