SCHEMBL542838

SCHEMBL542838

CCC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.76
OPRM1 P35372 6/20 0.75
OPRK1 P41145 4/20 0.75
MRGPRX2 Q96LB1 4/20 0.75
ADRB1 P08588 1/20 0.75
PDE4D Q08499 1/20 0.75
PDE3A Q14432 1/20 0.75
SLC22A1 O15245 1/20 0.67
ADRA2A P08913 1/20 0.67
ARRB1 P49407 1/20 0.67

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
SCHEMBL14611969 1.00 OPRD1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL28130368 0.93 OPRD1 (0.73) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL547920 0.91 OPRD1 (0.70) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL2351367 0.91 OPRD1 (0.73) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12082104 0.91 OPRM1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL31401927 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12720564 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL21063283 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL28358390 0.91 OPRD1 (0.71) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL548201 0.90 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109069419-A Abuse resistant drugs composition G.L.制药有限责任公司 2018-12-21 CN disclosed
CN-106455705-A Methods and devices for smoking urge relief 方特慕控股第私人有限公司 2017-02-22 CN disclosed
US-20120165315-A1 MEPTAZINOL CARBAMATE PRODRUG SALTS JOSTENS, INC. 2012-06-28 US disclosed
US-20120165520-A1 PROCESS FOR THE SYNTHESIS OF PRODRUGS OF OPIOIDS SHIRE LLC 2012-06-28 US disclosed
EP-2413937-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF Shire LLC (US) 2012-02-08 EP disclosed
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
WO-2011083304-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2011-07-14 WO disclosed
US-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-11-11 US disclosed
WO-2010112942-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE LLC (US) 2010-10-07 WO disclosed
US-6403602-B1 Morphine-6-sulfate analogues and their use for the treatment of pain THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-06-11 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 (4 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-20100286186-A1 NOVEL DICARBOXYLIC ACID LINKED AMINO ACID AND PEPTIDE PRODRUGS OF OPIOIDS AND USES THEREOF VIP, OPRL1, OPRK1 OPRD1 6/4885OPRM1 4/4885OPRK1 3/4885
US-20120165315-A1 MEPTAZINOL CARBAMATE PRODRUG SALTS MEP1A, MEP1B, CTSZ OPRD1 2234/4885OPRM1 395/4885OPRK1 1680/4885
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 OPRD1 4/4885OPRM1 3/4885OPRK1 1/4885
US-20120165520-A1 PROCESS FOR THE SYNTHESIS OF PRODRUGS OF OPIOIDS OPRM1, OPRK1, OPRD1 OPRD1 3/4885OPRM1 1/4885OPRK1 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.