SCHEMBL3079753

SCHEMBL3079753

COc1cccc(C2(O)CCCN(C=O)C2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD11B1 P28845 1/20 0.45
GRIN2B Q13224 5/20 0.44
SLC6A4 P31645 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL1660644 0.79 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL6831189 0.79 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL3081018 0.78 ALDH1A1 (0.60) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL4180702 0.77 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL30567205 0.77 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL11194779 0.77 ALDH1A1 (0.59) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL3081032 0.77 CYP3A4 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL3087292 0.77 OPRK1 (0.57) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL3080862 0.77 ALDH1A1 (0.60) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL3088506 0.77 GAA (0.51) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US disclosed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 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-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use OPRK1, OPRD1, OPRL1 OPRM1 4/4885OPRD1 2/4885OPRK1 1/4885

“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.