SCHEMBL3093175

SCHEMBL3093175

COc1cccc(C2(O)CCCN(C(=O)c3cccs3)C2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.55
ALDH1A1 P00352 6/20 0.50
GAA P10253 3/20 0.50
PKM P14618 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KCNA5 P22460 1/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 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
SCHEMBL3081032 0.84 CYP3A4 (0.56) ALDH1A1CYP3A4LMNAMEN1KMT2A
SCHEMBL3079273 0.82 ALDH1A1 (0.51) ALDH1A1PKMCYP3A4LMNAMEN1
SCHEMBL3073809 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4LMNAMEN1KMT2A
SCHEMBL3091158 0.81 ALDH1A1 (0.52) ALDH1A1PKMCYP3A4LMNAOPRM1
SCHEMBL3080049 0.81 PROKR1 (0.53) ALDH1A1PKMCYP3A4LMNA
SCHEMBL3086931 0.81 ALDH1A1 (0.55) ALDH1A1PKMCYP3A4KDM4ELMNA
SCHEMBL3083741 0.81 ALDH1A1 (0.50) ALDH1A1PKMCYP3A4LMNAHSD17B10
SCHEMBL3081026 0.81 LMNA (0.53) ALDH1A1PKMCYP3A4LMNAOPRM1
SCHEMBL3075559 0.81 ALDH1A1 (0.50) ALDH1A1PKMCYP3A4LMNAMAPK1
SCHEMBL3086922 0.80 ALDH1A1 (0.49) ALDH1A1PKMCYP3A4LMNAOPRM1

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-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
EP-1771417-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2007-04-11 EP disclosed
WO-2006010577-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2006-02-02 WO 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 GRM5 321/4885ALDH1A1 698/4885GAA 1994/4885

“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.