SCHEMBL16126176

SCHEMBL16126176

CN1CC[C@]23c4c5c(CCC(=O)O)cc(O)c4O[C@H]2[C@@H](OP(C)(C)=O)C=CC3[C@H]1C5

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 13/20 0.51
▸ OPRM1 P35372 13/20 0.51
▸ OPRK1 P41145 12/20 0.51
▸ MRGPRX2 Q96LB1 2/20 0.46
▸ SLC22A1 O15245 1/20 0.45
▸ ADRA2A P08913 1/20 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
SCHEMBL16126175 0.91 OPRD1 (0.49) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL19484944 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL16126168 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL16126172 0.88 OPRM1 (0.46) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL17472086 0.88 OPRM1 (0.46) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL17472081 0.88 OPRD1 (0.50) OPRD1OPRM1OPRK1MRGPRX2
SCHEMBL17472096 0.85 OPRD1 (0.46) OPRD1OPRM1OPRK1MRGPRX2
SCHEMBL19484993 0.84 OPRM1 (0.42) OPRD1OPRM1OPRK1MRGPRX2
SCHEMBL16126178 0.81 OPRD1 (0.49) OPRD1OPRM1OPRK1MRGPRX2SLC22A1
SCHEMBL19484996 0.81 OPRD1 (0.49) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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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