SCHEMBL13998951

SCHEMBL13998951

COc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=CC4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.82
OPRK1 P41145 11/20 0.82
OPRD1 P41143 6/20 0.82
MRGPRX2 Q96LB1 3/20 0.73
ADRB1 P08588 1/20 0.73
PDE4D Q08499 1/20 0.73
PDE3A Q14432 1/20 0.73

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
SCHEMBL3476558 1.00 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL16922125 1.00 OPRM1 (0.82) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL13250907 0.94 OPRM1 (0.84) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL2638139 0.93 OPRD1 (0.79) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16183153 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL10381363 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16922130 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16922136 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL35150 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL13998950 0.93 OPRD1 (0.81) OPRM1OPRK1OPRD1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20070191595-A1 6-MONOACETYLMORPHINE DERIVATIVES USEFUL IN IMMUNOASSAY OPRM1, MAG, IL6ST OPRM1 1/4885OPRK1 24/4885OPRD1 67/4885
US-20070142628-A1 6-Monoacetylmorphine derivatives useful in immunoassay OPRM1, MAG, IL6ST OPRM1 1/4885OPRK1 24/4885OPRD1 67/4885

“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.