SCHEMBL3086716

SCHEMBL3086716

COc1cccc(C2(O)CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.50
HPGD P15428 1/20 0.49
TACR2 P21452 2/20 0.49
TACR1 P25103 2/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MGLL Q99685 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 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
SCHEMBL3086931 0.90 ALDH1A1 (0.55) HPGDLMNAALDH1A1MGLLMAPK1
SCHEMBL3081032 0.88 CYP3A4 (0.56) HPGDLMNAALDH1A1MAPK1CYP3A4
SCHEMBL3095056 0.88 KMT2A (0.47) HPGDLMNAALDH1A1MGLLMAPK1
SCHEMBL3086922 0.87 ALDH1A1 (0.49) HPGDLMNAALDH1A1OPRD1OPRK1
SCHEMBL3079273 0.86 ALDH1A1 (0.51) HPGDLMNAALDH1A1OPRD1OPRK1
SCHEMBL3075559 0.85 ALDH1A1 (0.50) HPGDLMNAALDH1A1MAPK1TDP1
SCHEMBL3083741 0.85 ALDH1A1 (0.50) HPGDLMNAALDH1A1OPRD1OPRK1
SCHEMBL3081026 0.85 LMNA (0.53) HPGDLMNAALDH1A1OPRD1OPRK1
SCHEMBL3080049 0.85 PROKR1 (0.53) HPGDLMNAALDH1A1CYP3A4CYP2C19
SCHEMBL3088779 0.84 HPGD (0.52) HPGDLMNAALDH1A1MAPK1TDP1

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 HTR1A 28/4885HPGD 641/4885TACR2 813/4885

“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.