SCHEMBL3086922

SCHEMBL3086922

COc1cccc(C2(O)CCCN(C(=O)c3ccc4ccccc4c3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 1/20 0.49
PKLR P30613 1/20 0.47
TSHR P16473 4/20 0.46
HPGD P15428 3/20 0.46
OPRK1 P41145 2/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRL1 P41146 1/20 0.46
CYP3A4 P08684 5/20 0.45
CYP1A2 P05177 4/20 0.45
CYP2C19 P33261 3/20 0.45
USP2 O75604 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HIF1A Q16665 2/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 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 0.89 CYP3A4 (0.56) ALDH1A1LMNATSHRHPGDCYP3A4
SCHEMBL3079273 0.87 ALDH1A1 (0.51) ALDH1A1LMNAPKLRTSHRHPGD
SCHEMBL3086716 0.87 HTR1A (0.50) ALDH1A1LMNAHPGDOPRK1OPRD1
SCHEMBL3081026 0.86 LMNA (0.53) ALDH1A1LMNAHPGDOPRK1OPRM1
SCHEMBL3086931 0.86 ALDH1A1 (0.55) ALDH1A1LMNAPKLRTSHRHPGD
SCHEMBL3075559 0.86 ALDH1A1 (0.50) ALDH1A1LMNAPKLRTSHRHPGD
SCHEMBL3080049 0.86 PROKR1 (0.53) ALDH1A1LMNAPKLRTSHRHPGD
SCHEMBL3083741 0.86 ALDH1A1 (0.50) ALDH1A1LMNAPKLRTSHRHPGD
SCHEMBL3088779 0.85 HPGD (0.52) ALDH1A1LMNAHPGDOPRK1OPRM1
SCHEMBL3096010 0.85 ALDH1A1 (0.63) ALDH1A1LMNATSHRHPGDCYP3A4

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 ALDH1A1 698/4885LMNA 1948/4885PKLR 1688/4885

“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.