SCHEMBL3088779

SCHEMBL3088779

COc1cccc(C2(O)CCCN(C(=O)c3cccc(Br)c3)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 6/20 0.49
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
PROKR1 Q8TCW9 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
SCHEMBL3083741 0.91 ALDH1A1 (0.50) HPGDLMNAALDH1A1PKMCYP1A2
SCHEMBL3081026 0.88 LMNA (0.53) HPGDLMNAALDH1A1L3MBTL1PKM
SCHEMBL3096010 0.88 ALDH1A1 (0.63) HPGDLMNAALDH1A1TP53CYP1A2
SCHEMBL3081032 0.87 CYP3A4 (0.56) HPGDLMNAALDH1A1MAPK1CYP1A2
SCHEMBL3086922 0.85 ALDH1A1 (0.49) HPGDLMNAALDH1A1L3MBTL1PKM
SCHEMBL3079273 0.85 ALDH1A1 (0.51) HPGDLMNAALDH1A1PKMCYP1A2
SCHEMBL3095963 0.85 LMNA (0.54) HPGDLMNAALDH1A1GAAMAPK1
SCHEMBL3086716 0.84 HTR1A (0.50) HPGDLMNAALDH1A1MAPK1TDP1
SCHEMBL3075559 0.84 ALDH1A1 (0.50) HPGDLMNAALDH1A1MAPK1TDP1
SCHEMBL3086931 0.84 ALDH1A1 (0.55) 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 HPGD 641/4885LMNA 1948/4885ALDH1A1 698/4885

“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.