SCHEMBL19484994

SCHEMBL19484994

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

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.71
▸ OPRM1 P35372 4/20 0.61
▸ OPRK1 P41145 3/20 0.61
▸ MRGPRX2 Q96LB1 2/20 0.61
▸ ADRB1 P08588 1/20 0.61
▸ PDE4D Q08499 1/20 0.61
▸ PDE3A Q14432 1/20 0.61

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
SCHEMBL8374709 0.87 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL16922134 0.87 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL14516215 0.87 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL149701 0.87 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Water SCHEMBL2443250 0.86 OPRM1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL27503745 0.86 OPRD1 (0.78) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL17302926 0.86 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16183153 0.86 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16922136 0.86 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL13998950 0.86 OPRD1 (0.81) 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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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-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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