SCHEMBL3080862

SCHEMBL3080862

COc1cccc(C2(O)CCCN(C(=O)Cc3ccccc3)C2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
SIGMAR1 Q99720 2/20 0.49
OPRK1 P41145 6/20 0.49
OPRD1 P41143 3/20 0.49
OPRM1 P35372 1/20 0.49
OPRL1 P41146 1/20 0.49
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3079378 0.90 ALDH1A1 (0.51) ALDH1A1SIGMAR1OPRK1OPRD1OPRM1
SCHEMBL3088506 0.87 GAA (0.51) ALDH1A1OPRK1OPRD1OPRM1OPRL1
SCHEMBL3087292 0.81 OPRK1 (0.57) ALDH1A1OPRK1OPRD1OPRM1OPRL1
SCHEMBL3081018 0.80 ALDH1A1 (0.60) ALDH1A1SIGMAR1OPRK1OPRD1OPRM1
SCHEMBL3093283 0.80 CYP3A4 (0.54) ALDH1A1GAALMNARAB9ATSHR
SCHEMBL11552626 0.80 SLC6A4 (0.54) ALDH1A1SIGMAR1OPRK1OPRD1GAA
SCHEMBL11553191 0.80 SLC6A4 (0.54) ALDH1A1SIGMAR1OPRK1OPRD1GAA
SCHEMBL11552628 0.80 SLC6A4 (0.54) ALDH1A1SIGMAR1OPRK1OPRD1GAA
Hydrochloric Acid SCHEMBL11194779 0.79 ALDH1A1 (0.59) ALDH1A1SIGMAR1OPRK1OPRD1OPRM1
SCHEMBL3081032 0.79 CYP3A4 (0.56) ALDH1A1LMNATSHRMEN1KMT2A

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 698/4885SIGMAR1 19/4885OPRK1 1/4885

“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.