SCHEMBL3477437

SCHEMBL3477437

CN1CC[C@]23c4c5ccc(OC(=O)c6ccccc6O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.69
▸ OPRD1 P41143 7/20 0.69
▸ OPRK1 P41145 5/20 0.69
▸ MRGPRX2 Q96LB1 4/20 0.69
▸ ADRB1 P08588 1/20 0.69
▸ PDE4D Q08499 1/20 0.69
▸ PDE3A Q14432 1/20 0.69
▸ 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
SCHEMBL12082393 0.95 OPRD1 (0.74) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL11012568 0.91 OPRM1 (0.66) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL6266395 0.90 OPRD1 (0.67) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL6459794 0.89 OPRD1 (0.77) OPRM1OPRD1OPRK1MRGPRX2ADRB1
Codeine SCHEMBL3476298 0.89 OPRM1 (0.78) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL12082084 0.88 OPRD1 (0.76) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL12082085 0.87 OPRD1 (0.73) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL15501040 0.87 OPRD1 (0.73) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL12082104 0.87 OPRM1 (0.80) OPRM1OPRD1OPRK1MRGPRX2ADRB1
SCHEMBL27494118 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1MRGPRX2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203115-A1 Narcotic-NSAID ion pairs WELLS FARGO BANK, N.A. 2005-09-15 — — US claimed
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
CN-1376146-B Solid-state form of celecoxil having enhanced bioavailability PHARMACIA CORP 2011-04-06 — — CN 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-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
US-20100292466-A1 Efficient Synthesis Of Galanthamine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 — — US disclosed
CN-1287768-C Stable oral suspension formulations PHARMACIA CORP (US) 2006-12-06 — — CN disclosed
WO-2005086960-A2 NARCOTIC-NSAID ION PAIRS AAIPHARMA, INC. (US) 2005-09-22 — — WO disclosed
US-20050203115-A1 Narcotic-NSAID ion pairs WELLS FARGO BANK, N.A. 2005-09-15 — — US disclosed
CN-1633281-A Intraorally disintegrating valdecoxib compositions PHARMACIA CORP (US) 2005-06-29 — — CN disclosed
CN-1602187-A Orally disintegrating valdecoxib compositions prepared by spray drying PHARMACIA CORP (US) 2005-03-30 — — CN disclosed
CN-1549704-A Stable oral suspension formulations — 2004-11-24 — — CN 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 4/4885OPRD1 21/4885OPRK1 3/4885
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods OPRK1, GALR2, OPRM1 OPRM1 3/4885OPRD1 5/4885OPRK1 1/4885
US-20100292475-A1 Efficient Synthesis Of Morphine And Codeine OPRK1, OPRM1, OPRL1 OPRM1 2/4885OPRD1 5/4885OPRK1 1/4885
US-20150133664-A1 CHEMICAL TRANSFORMATIONS OF (-)-CODEINE TO AFFORD DERIVATIVES OF CODEINE AND MORPHINE THEREOF OPRK1, OPRM1, OPRD1 OPRM1 2/4885OPRD1 3/4885OPRK1 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.

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