SCHEMBL3084860

SCHEMBL3084860

COc1cccc(C2(O)CCCN(C(=O)c3cccc(F)c3F)C2)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
ALDH1A1 P00352 4/20 0.48
CPS1 P31327 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ATM Q13315 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
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
GRIN2B Q13224 4/20 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 0.93 ALDH1A1 (0.49) ALDH1A1CPS1NPC1RAB9AATM
SCHEMBL3073809 0.89 ALDH1A1 (0.51) ALDH1A1CPS1NPC1RAB9AATM
SCHEMBL3093616 0.87 ALDH1A1 (0.47) ALDH1A1CPS1NPC1RAB9AATM
SCHEMBL3086823 0.84 NPC1 (0.49) ALDH1A1NPC1RAB9AATMOPRM1
SCHEMBL3080049 0.83 PROKR1 (0.53) HPGDALDH1A1LMNASMN1; SMN2PROKR1
SCHEMBL3091158 0.83 ALDH1A1 (0.52) ALDH1A1OPRM1OPRD1OPRK1OPRL1
SCHEMBL3096010 0.82 ALDH1A1 (0.63) HPGDALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL3086692 0.82 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AATMOPRM1
SCHEMBL3081032 0.82 CYP3A4 (0.56) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL3080412 0.81 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AATMOPRM1

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 HPGD 641/4885ALDH1A1 698/4885CPS1 1990/4885

“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.