SCHEMBL1706299

SCHEMBL1706299

COC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.83
OPRD1 P41143 14/20 0.83
OPRK1 P41145 11/20 0.77
KCNE1 P15382 1/20 0.77
KCNQ1 P51787 1/20 0.77
CACNA1C Q13936 1/20 0.77

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
SCHEMBL14653018 1.00 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNE1KCNQ1
SCHEMBL3765655 1.00 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNE1KCNQ1
SCHEMBL14653019 1.00 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNE1KCNQ1
SCHEMBL16449953 1.00 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNE1KCNQ1
SCHEMBL14993654 1.00 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNE1KCNQ1
Hydrochloric Acid SCHEMBL28411127 0.99 OPRM1 (0.81) OPRM1OPRD1OPRK1KCNE1KCNQ1
Hydrochloric Acid SCHEMBL6271554 0.99 OPRM1 (0.81) OPRM1OPRD1OPRK1KCNE1KCNQ1
Hydrochloric Acid SCHEMBL6271253 0.99 OPRM1 (0.81) OPRM1OPRD1OPRK1KCNE1KCNQ1
SCHEMBL8784947 0.92 OPRM1 (0.81) OPRM1OPRD1OPRK1KCNE1KCNQ1
SCHEMBL8784951 0.92 OPRM1 (0.81) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150819-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS MERCK SHARP & DOHME CORP. 2015-06-04 US disclosed
US-20150045556-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO DOLLE ROLAND E (US) 2015-02-12 US disclosed
US-20150045556-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO DOLLE ROLAND E (US) 2015-02-12 US disclosed
US-20140303211-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-10-09 US disclosed
US-20140057947-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2014-02-27 US disclosed
WO-2013080221-A2 PROCESS FOR ALVIMOPAN HETERO RESEARCH FOUNDATION (IN) 2013-06-06 WO disclosed
WO-2013080221-A2 PROCESS FOR ALVIMOPAN HETERO RESEARCH FOUNDATION (IN) 2013-06-06 WO disclosed
US-8404693-B2 Substituted piperidine compounds and methods of their use ADOLOR CORPORATION (US) 2013-03-26 US disclosed
WO-2013012871-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO ADOLOR CORPORATION (US) 2013-01-24 WO disclosed
US-20120232114-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2012-09-13 US disclosed
WO-2010144446-A1 (S) -2-BENZYL-3- ( (3R, 4R) -4- (3 -CARBAMO YLPHENYL) -3, 4-DIMETHYLPIPERIDINYL) PROPANOIC ACID AND SALT THEROF AS ANTAGONISTS OF THE OPIOID RECEPTORS ADOLOR CORPORATION (US) 2010-12-16 WO disclosed
WO-2010144446-A1 (S) -2-BENZYL-3- ( (3R, 4R) -4- (3 -CARBAMO YLPHENYL) -3, 4-DIMETHYLPIPERIDINYL) PROPANOIC ACID AND SALT THEROF AS ANTAGONISTS OF THE OPIOID RECEPTORS ADOLOR CORPORATION (US) 2010-12-16 WO disclosed
US-20100311782-A1 SUBSTITUTED PIPERIDINYLPROPANOIC ACID COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-12-09 US disclosed
US-20100311782-A1 SUBSTITUTED PIPERIDINYLPROPANOIC ACID COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-12-09 US disclosed
US-20100311782-A1 SUBSTITUTED PIPERIDINYLPROPANOIC ACID COMPOUNDS AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-12-09 US disclosed
US-20100240690-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS ADOLOR CORPORATION (US) 2010-09-23 US disclosed
US-7700626-B2 Such as alvimopan and active metabolite, with improved solubility and bioavailability for oral or parenteral administration, injectable dosage formulations, kits; lyophilization; vacuum drying; storage stability ADOLOR CORPORATION (US) 2010-04-20 US disclosed
US-20090076082-A1 DEUTERIUM-ENRICHED ALVIMOPAN PROTIA, LLC (US) 2009-03-19 US disclosed
US-20070092576-A1 Micronizing with sugar excipient; stability and bioavailability; e.g. alvimopam; solid dosage forms ADOLOR CORPORATION (US) 2007-04-26 US disclosed
US-20070082053-A1 Solid dispersions of opioid antagonists ADOLOR CORPORATION (US) 2007-04-12 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 (10 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-20140057947-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRL1, OPRM1 OPRM1 3/4885OPRD1 4/4885OPRK1 1/4885
US-20150045556-A1 PROCESSES FOR THE PREPARATION OF PERIPHERAL OPIOID ANTAGONIST COMPOUNDS AND INTERMEDIATES THERETO OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20070082053-A1 Solid dispersions of opioid antagonists OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRD1 2/4885OPRK1 1/4885
US-20070092576-A1 Micronizing with sugar excipient; stability and bioavailability; e.g. alvimopam; solid dosage forms OPRM1, OPRK1, OGFR OPRM1 1/4885OPRD1 5/4885OPRK1 2/4885
US-20140303211-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRL1, OPRM1 OPRM1 3/4885OPRD1 4/4885OPRK1 1/4885
US-20090076082-A1 DEUTERIUM-ENRICHED ALVIMOPAN LPXN, AVPR2, AVPR1A OPRM1 205/4885OPRD1 12/4885OPRK1 29/4885
US-20100240690-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRL1, OPRM1 OPRM1 3/4885OPRD1 4/4885OPRK1 1/4885
US-20150150819-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 1/4885
US-20100311782-A1 SUBSTITUTED PIPERIDINYLPROPANOIC ACID COMPOUNDS AND METHODS OF THEIR USE OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRD1 4/4885OPRK1 1/4885
US-20120232114-A1 COMPOSITIONS CONTAINING OPIOID ANTAGONISTS OPRK1, OPRL1, OPRM1 OPRM1 3/4885OPRD1 4/4885OPRK1 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.