SCHEMBL13998949

SCHEMBL13998949

CC(=O)O[C@H]1C=CC2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H]1O5

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 14/20 0.82
▸ OPRM1 P35372 14/20 0.82
▸ OPRK1 P41145 13/20 0.82
▸ MRGPRX2 Q96LB1 2/20 0.71
▸ SLC22A1 O15245 1/20 0.71
▸ ADRA2A P08913 1/20 0.71
▸ ARRB1 P49407 1/20 0.71

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
SCHEMBL16922133 1.00 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL17302927 1.00 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL154049 1.00 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL7940016 1.00 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL29368031 1.00 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
Hydrochloric Acid SCHEMBL27754465 0.99 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL29380241 0.94 OPRD1 (0.72) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL16810050 0.93 OPRM1 (0.82) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL27832558 0.91 OPRD1 (0.67) OPRD1OPRM1OPRK1
Diacetylmorphine SCHEMBL2346177 0.90 OPRM1 (0.71) OPRD1OPRM1OPRK1MRGPRX2SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470416-B1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO INC (US) 2022-04-27 — — EP disclosed
EP-3470416-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE Alere San Diego, Inc. (US) 2019-04-17 — — EP disclosed
US-20170296654-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. 2017-10-19 — — US disclosed
US-20170296654-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. 2017-10-19 — — US disclosed
US-9694069-B2 6-acetylmorphine analogs, and methods for their synthesis and use ALERE SAN DIEGO, INC. (US) 2017-07-04 — — US disclosed
US-9694069-B2 6-acetylmorphine analogs, and methods for their synthesis and use ALERE SAN DIEGO, INC. (US) 2017-07-04 — — US disclosed
US-20160022809-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. 2016-01-28 — — US disclosed
US-20160022809-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. 2016-01-28 — — US disclosed
WO-2014152657-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE ALERE SAN DIEGO, INC. (US) 2014-09-25 — — WO disclosed
US-7465797-B2 6-monoacetylmorphine derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2008-12-16 — — US disclosed
US-7465797-B2 6-monoacetylmorphine derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2008-12-16 — — US disclosed
US-20070191595-A1 6-MONOACETYLMORPHINE DERIVATIVES USEFUL IN IMMUNOASSAY GHOSHAL MITALI 2007-08-16 — — US disclosed
US-20070191595-A1 6-MONOACETYLMORPHINE DERIVATIVES USEFUL IN IMMUNOASSAY GHOSHAL MITALI 2007-08-16 — — US disclosed
EP-1810973-A1 6-monoacetylmorphine derivatives useful in immunoassay Roche Diagnostics GmbH (DE) 2007-07-25 — — EP disclosed
US-7238791-B1 6-monoacetylmorphine derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-07-03 — — US disclosed
US-7238791-B1 6-monoacetylmorphine derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-07-03 — — US disclosed
US-20070142628-A1 6-Monoacetylmorphine derivatives useful in immunoassay ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2007-06-21 — — 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-20070191595-A1 6-MONOACETYLMORPHINE DERIVATIVES USEFUL IN IMMUNOASSAY OPRM1, MAG, IL6ST OPRD1 67/4885OPRM1 1/4885OPRK1 24/4885
US-20070142628-A1 6-Monoacetylmorphine derivatives useful in immunoassay OPRM1, MAG, IL6ST OPRD1 67/4885OPRM1 1/4885OPRK1 24/4885
US-20160022809-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE DNPEP, CRHBP, AANAT OPRD1 30/4885OPRM1 11/4885OPRK1 13/4885
US-20170296654-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE DNPEP, CRHBP, AANAT OPRD1 30/4885OPRM1 11/4885OPRK1 13/4885

“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.

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