SCHEMBL3086823

SCHEMBL3086823

COc1cccc(C2(O)CCCN(C(=O)c3ccccc3Br)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.49
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRL1 P41146 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
GAA P10253 1/20 0.43
GRIN2B Q13224 4/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL3079279 0.88 ALDH1A1 (0.49) NPC1RAB9AATMALDH1A1OPRM1
SCHEMBL3086692 0.85 ALDH1A1 (0.47) NPC1RAB9AATMALDH1A1OPRM1
SCHEMBL3084860 0.84 HPGD (0.51) NPC1RAB9AATMALDH1A1OPRM1
SCHEMBL3083741 0.84 ALDH1A1 (0.50) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3088779 0.83 HPGD (0.52) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3073809 0.83 ALDH1A1 (0.51) NPC1RAB9AATMALDH1A1OPRM1
SCHEMBL3081032 0.83 CYP3A4 (0.56) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL3093616 0.82 ALDH1A1 (0.47) NPC1RAB9AATMALDH1A1OPRM1
SCHEMBL3080412 0.82 ALDH1A1 (0.47) NPC1RAB9AATMALDH1A1OPRM1
SCHEMBL3086922 0.81 ALDH1A1 (0.49) NPC1RAB9AALDH1A1OPRM1OPRD1

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 8 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
EP-1771417-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2007-04-11 EP claimed
WO-2006010577-A1 SUBSTITUTED 3-PHENYLPIPERIDINE DERIVATIVES Grünenthal GmbH (DE) 2006-02-02 WO 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 NPC1 1170/4885RAB9A 1423/4885ATM 3577/4885

“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.