SCHEMBL3085181

SCHEMBL3085181

COc1cccc(C2(O)CCCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.50
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
PKM P14618 1/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 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
SCHEMBL3081032 0.87 CYP3A4 (0.56) ALDH1A1CYP1A2LMNA
SCHEMBL3091158 0.86 ALDH1A1 (0.52) ALDH1A1CYP1A2LMNAPKMOPRM1
SCHEMBL3079273 0.85 ALDH1A1 (0.51) ALDH1A1CYP1A2LMNAPKMOPRM1
SCHEMBL3086931 0.84 ALDH1A1 (0.55) ALDH1A1CYP1A2LMNAPKM
SCHEMBL3083741 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2LMNAPKMOPRM1
SCHEMBL3075559 0.84 ALDH1A1 (0.50) ALDH1A1CYP1A2LMNAPKMOPRM1
SCHEMBL3080049 0.84 PROKR1 (0.53) ALDH1A1CYP1A2LMNAPKM
SCHEMBL3081026 0.84 LMNA (0.53) ALDH1A1L3MBTL1CYP1A2LMNAPKM
SCHEMBL3087858 0.84 CYP3A4 (0.55) ALDH1A1CYP1A2
SCHEMBL3086922 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP1A2LMNAPKM

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
US-7790898-B2 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2010-09-07 US claimed
US-20070173533-A1 Substituted 3-phenylpiperidine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-07-26 US claimed
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 ALDH1A1 698/4885L3MBTL1 3501/4885CYP1A2 67/4885

“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.