SCHEMBL1217752

SCHEMBL1217752

C[C@H]1CN(C[C@@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(C(=O)O)c1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.83
OPRD1 P41143 15/20 0.83
OPRK1 P41145 12/20 0.83
KCNE1 P15382 1/20 0.83
KCNQ1 P51787 1/20 0.83
CACNA1C Q13936 1/20 0.83

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
SCHEMBL12555287 1.00 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNE1KCNQ1
SCHEMBL12879424 0.93 OPRM1 (0.80) OPRM1OPRD1OPRK1KCNE1KCNQ1
SCHEMBL19367978 0.91 OPRM1 (0.85) OPRM1OPRD1OPRK1KCNE1KCNQ1
Alvimopan SCHEMBL19367933 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNE1KCNQ1
Alvimopan SCHEMBL5953724 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNE1KCNQ1
Alvimopan SCHEMBL25348849 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNE1KCNQ1
Alvimopan SCHEMBL12188165 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNE1KCNQ1
Alvimopan SCHEMBL49578 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNE1KCNQ1
Alvimopan SCHEMBL14995531 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNE1KCNQ1
Alvimopan SCHEMBL19367975 0.91 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNE1KCNQ1

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-7381721-B2 Substituted piperidine compounds ADOLOR CORPORATION (US) 2008-06-03 US claimed
US-8404693-B2 Substituted piperidine compounds and methods of their use ADOLOR CORPORATION (US) 2013-03-26 US disclosed
US-20110144108-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-06-16 US disclosed
US-7884102-B2 opioid receptors antagonists such as 3-(3R,4R-dimethyl-piperidin-4-yl)-benzoic acid, used as analgesics or for the treatment of gastrointestinal disorders or side effect associated with an opioids ADOLOR CORPORATION (US) 2011-02-08 US disclosed
US-20080306071-A1 Substituted piperidine compounds and methods of their use ADOLOR CORPORATION (US) 2008-12-11 US disclosed
US-7381721-B2 Substituted piperidine compounds ADOLOR CORPORATION (US) 2008-06-03 US disclosed
WO-2004082623-A2 SUBSTITUTED PIPERIDINE COMPOUNDS ADOLOR CORPORATION (US) 2004-09-30 WO disclosed
US-20040186135-A1 Substituted piperidine compounds CUBIST PHARMACEUTICALS, INC. 2004-09-23 US 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 (3 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-20040186135-A1 Substituted piperidine compounds OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRD1 2/4885OPRK1 1/4885
US-20080306071-A1 Substituted piperidine compounds and methods of their use OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20110144108-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885

“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.