SCHEMBL16126173

SCHEMBL16126173

CC(=O)Oc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=CC4[C@@H](C2)NCC[C@@]341

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX2 Q96LB1 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ OPRD1 P41143 11/20 0.55
▸ OPRM1 P35372 8/20 0.45
▸ OPRK1 P41145 6/20 0.45

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
SCHEMBL25575471 1.00 MRGPRX2 (0.62) MRGPRX2MAPTOPRD1OPRM1OPRK1
SCHEMBL19485064 1.00 MRGPRX2 (0.62) MRGPRX2MAPTOPRD1OPRM1OPRK1
SCHEMBL13575270 0.84 OPRD1 (0.56) MRGPRX2MAPTOPRD1OPRM1OPRK1
SCHEMBL12091202 0.82 MRGPRX2 (0.78) MRGPRX2MAPTOPRD1OPRM1OPRK1
SCHEMBL14153816 0.82 MRGPRX2 (0.78) MRGPRX2MAPTOPRD1OPRM1OPRK1
SCHEMBL14107502 0.82 MRGPRX2 (0.78) MRGPRX2MAPTOPRD1OPRM1OPRK1
SCHEMBL19068338 0.82 OPRD1 (0.58) OPRD1OPRM1OPRK1
Diacetylmorphine SCHEMBL7206795 0.82 OPRD1 (0.80) MRGPRX2OPRD1OPRM1OPRK1
SCHEMBL19484989 0.81 OPRD1 (0.47) MRGPRX2MAPTOPRD1OPRM1OPRK1
SCHEMBL24368187 0.81 OPRD1 (0.57) OPRD1OPRM1OPRK1

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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20160022809-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE DNPEP, CRHBP, AANAT MRGPRX2 347/4885MAPT 1767/4885OPRD1 30/4885
US-20170296654-A1 6-ACETYLMORPHINE ANALOGS, AND METHODS FOR THEIR SYNTHESIS AND USE DNPEP, CRHBP, AANAT MRGPRX2 347/4885MAPT 1767/4885OPRD1 30/4885

“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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