SCHEMBL3477727

SCHEMBL3477727

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

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.73
OPRK1 P41145 11/20 0.73
OPRD1 P41143 6/20 0.73
MRGPRX2 Q96LB1 3/20 0.66
ADRB1 P08588 1/20 0.66
PDE4D Q08499 1/20 0.66
PDE3A Q14432 1/20 0.66

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
SCHEMBL7770909 0.97 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL7775794 0.97 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477477 0.97 OPRM1 (0.71) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL29610430 0.96 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL22959877 0.96 OPRM1 (0.77) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL10329433 0.94 OPRM1 (0.73) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL2322859 0.90 OPRM1 (0.78) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL22959880 0.89 OPRM1 (0.66) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL19463540 0.89 OPRD1 (0.72) OPRM1OPRK1OPRD1MRGPRX2ADRB1
SCHEMBL3477203 0.88 OPRM1 (0.70) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133664-A1 CHEMICAL TRANSFORMATIONS OF (-)-CODEINE TO AFFORD DERIVATIVES OF CODEINE AND MORPHINE THEREOF UNIV TEXAS (US) 2015-05-14 US disclosed
WO-2013184902-A1 CHEMICAL TRANSFORMATIONS OF (-)-CODEINE TO AFFORD DERIVATIVES OF CODEINE AND MORPHINE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-12-12 WO disclosed
US-8450365-B2 Efficient synthesis of galanthamine BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-05-28 US disclosed
US-8362283-B2 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-29 US disclosed
US-8293927-B2 Efficient synthesis of morphine and codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-10-23 US disclosed
WO-2010132570-A1 SYNTHESIS OF MORPHINE AND RELATED DERIVATIVES BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-11-18 WO disclosed
US-20100292466-A1 Efficient Synthesis Of Galanthamine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 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-20100292466-A1 Efficient Synthesis Of Galanthamine GALR2, GALR1, OPRK1 OPRM1 4/4885OPRK1 3/4885OPRD1 21/4885
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods OPRK1, GALR2, OPRM1 OPRM1 3/4885OPRK1 1/4885OPRD1 5/4885
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRK1 1/4885OPRD1 5/4885
US-20150133664-A1 CHEMICAL TRANSFORMATIONS OF (-)-CODEINE TO AFFORD DERIVATIVES OF CODEINE AND MORPHINE THEREOF OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRK1 1/4885OPRD1 3/4885

“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.