SCHEMBL3477083

SCHEMBL3477083

CC(C)C(=O)Oc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.76
OPRM1 P35372 6/20 0.75
OPRK1 P41145 4/20 0.75
MRGPRX2 Q96LB1 4/20 0.75
ADRB1 P08588 1/20 0.75
PDE4D Q08499 1/20 0.75
PDE3A Q14432 1/20 0.75
SLC22A1 O15245 1/20 0.67
ADRA2A P08913 1/20 0.67
ARRB1 P49407 1/20 0.67

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
SCHEMBL548201 0.94 OPRD1 (0.74) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL12082104 0.91 OPRM1 (0.80) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL6755526 0.90 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL14516215 0.90 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL16922134 0.90 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL149701 0.90 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL8374709 0.90 OPRD1 (0.79) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL14611969 0.89 OPRD1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL542838 0.89 OPRD1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Hydrochloric Acid SCHEMBL27503745 0.89 OPRD1 (0.78) 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 10 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-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods 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-20100292466-A1 Efficient Synthesis Of Galanthamine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-6403602-B1 Morphine-6-sulfate analogues and their use for the treatment of pain THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2002-06-11 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 OPRD1 21/4885OPRM1 4/4885OPRK1 3/4885
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods OPRK1, GALR2, OPRM1 OPRD1 5/4885OPRM1 3/4885OPRK1 1/4885
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 OPRD1 5/4885OPRM1 2/4885OPRK1 1/4885
US-20150133664-A1 CHEMICAL TRANSFORMATIONS OF (-)-CODEINE TO AFFORD DERIVATIVES OF CODEINE AND MORPHINE THEREOF OPRK1, OPRM1, OPRD1 OPRD1 3/4885OPRM1 2/4885OPRK1 1/4885

“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.