SCHEMBL4497865

SCHEMBL4497865

N#Cc1ccc(CN2CC3(CCN(C(=O)CC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.45
CYP3A4 P08684 11/20 0.43
CYP2C19 P33261 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP2C9 P11712 5/20 0.43
TSHR P16473 3/20 0.43
CYP1A2 P05177 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
USP2 O75604 3/20 0.42
GRM2 Q14416 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
FAAH O00519 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
SCHEMBL1085842 0.89 CYP2D6 (0.48) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL1085778 0.89 CYP3A4 (0.48) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL6619301 0.84 CNR1 (0.42) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL1086268 0.81 CYP3A4 (0.49) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL1086352 0.80 HSD11B1 (0.44) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL1086337 0.80 CYP3A4 (0.48) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL6618870 0.80 CNR1 (0.42) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL1086154 0.80 FKBP1A (0.51) CYP3A4ALDH1A1CYP2C9TSHRMEN1
SCHEMBL1087047 0.79 CYP3A4 (0.48) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1
SCHEMBL1086441 0.79 HRH3 (0.45) CYP2D6CYP3A4CYP2C19ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYP2D6 42/4885CYP3A4 60/4885CYP2C19 453/4885

“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.