SCHEMBL3087292

SCHEMBL3087292

COc1cccc(C2(O)CCCN(C(=O)C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.57
OPRD1 P41143 5/20 0.57
OPRM1 P35372 4/20 0.57
OPRL1 P41146 4/20 0.57
ALDH1A1 P00352 3/20 0.50
GRIN2B Q13224 5/20 0.45
HSD11B1 P28845 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL3088506 0.81 GAA (0.51) OPRK1OPRD1OPRM1OPRL1ALDH1A1
SCHEMBL3080862 0.81 ALDH1A1 (0.60) OPRK1OPRD1OPRM1OPRL1ALDH1A1
SCHEMBL3086823 0.80 NPC1 (0.49) OPRK1OPRD1OPRM1OPRL1ALDH1A1
SCHEMBL3079279 0.80 ALDH1A1 (0.49) OPRK1OPRD1OPRM1OPRL1ALDH1A1
SCHEMBL3079378 0.79 ALDH1A1 (0.51) OPRK1OPRD1OPRM1OPRL1ALDH1A1
SCHEMBL3081032 0.79 CYP3A4 (0.56) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5168106 0.78 OPRM1 (0.60) OPRK1OPRD1OPRM1OPRL1ALDH1A1
SCHEMBL3086922 0.78 ALDH1A1 (0.49) OPRK1OPRD1OPRM1OPRL1ALDH1A1
SCHEMBL3086692 0.78 ALDH1A1 (0.47) OPRK1OPRD1OPRM1OPRL1ALDH1A1
Hydrochloric Acid SCHEMBL3092573 0.77 OPRM1 (0.58) OPRK1OPRD1OPRM1OPRL1ALDH1A1

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 OPRK1 1/4885OPRD1 2/4885OPRM1 4/4885

“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.