SCHEMBL21063282

SCHEMBL21063282

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

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.75
OPRM1 P35372 13/20 0.65
OPRK1 P41145 11/20 0.65
MRGPRX2 Q96LB1 2/20 0.58
ADRB1 P08588 1/20 0.58
PDE4D Q08499 1/20 0.58
PDE3A Q14432 1/20 0.58

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
SCHEMBL15822773 1.00 OPRD1 (0.75) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL30789045 1.00 OPRD1 (0.75) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL16635673 0.95 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2ADRB1
SCHEMBL29352353 0.95 OPRD1 (0.82) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL28409302 0.92 OPRD1 (0.76) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL16183153 0.92 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL14463869 0.92 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL35150 0.92 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL13998950 0.92 OPRD1 (0.81) OPRD1OPRM1OPRK1MRGPRX2ADRB1
Diacetylmorphine SCHEMBL10381363 0.92 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260060822-A1 BIOENGINEERED SCAFFOLDS FOR VASCULAR GRAFTS AND METHODS OF USE THEREOF UNIV WAKE FOREST HEALTH SCIENCES (US) 2026-03-05 US disclosed
US-12528794-B2 MAO-B inhibitor DRG-MAOB-1 for use in treatment of neurodegenerative diseases BAHCESEHIR UNIVERSITESI (TR) 2026-01-20 US disclosed
US-20250366978-A1 DEVICES AND METHODS OF MAKING AND USE THEREOF METHODIST HOSPITAL (US) 2025-12-04 US disclosed
US-20250366979-A1 DEVICES AND METHODS OF MAKING AND USE THEREOF METHODIST HOSPITAL (US) 2025-12-04 US disclosed
US-12478613-B2 Selective MAO-B inhibitor DRG-MAOB-2 for use in treatment of neurodegenerative diseases BAHCESEHIR UNIVERSITESI (TR) 2025-11-25 US disclosed
US-20250251323-A1 COLLECTION PROBE AND METHODS OF USE THEREOF BAYLOR COLLEGE OF MEDICINE 2025-08-07 US disclosed
WO-2025128946-A1 DEVICES AND METHODS OF MAKING AND USE THEREOF THE METHODIST HOSPITAL (US) 2025-06-19 WO disclosed
EP-4536138-A1 DEVICES AND METHODS OF MAKING AND USE THEREOF The Methodist Hospital (US) 2025-04-16 EP disclosed
EP-4536139-A1 DEVICES AND METHODS OF MAKING AND USE THEREOF The Methodist Hospital (US) 2025-04-16 EP disclosed
EP-4507825-A1 COLLECTION PROBE AND METHODS OF USE THEREOF Board of Regents, The University of Texas System (US) 2025-02-19 EP disclosed
WO-2023244797-A1 DEVICES AND METHODS OF MAKING AND USE THEREOF THE METHODIST HOSPITAL SYSTEM (US) 2023-12-21 WO disclosed
WO-2023200850-A1 COLLECTION PROBE AND METHODS OF USE THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-10-19 WO disclosed
US-20230203053-A1 HALOGENATED DERIVATIVES OF MORPHINANS AND USES THEREOF XALUD THERAPEUTICS, INC. (US) 2023-06-29 US disclosed
US-20230093302-A1 A NOVEL MAO-B INHIBITOR DRG-MAOB-1 FOR USE IN TREATMENT OF NEURODEGENERATIVE DISEASES BAHCESEHIR UNIVERSITESI (TR) 2023-03-23 US disclosed
US-20230088611-A1 A NOVEL SELECTIVE MAO-B INHIBITOR DRG-MAOB-2 FOR USE IN TREATMENT OF NEURODEGENERATIVE DISEASES ISTANBUL GEDIK UNIVERSITESI 2023-03-23 US disclosed
US-11505556-B2 Halogenated derivatives of morphinans and uses thereof XALUD THERAPEUTICS, INC. (US) 2022-11-22 US disclosed
US-20220008348-A1 COMPOUND DELIVERY SYSTEMS AND METHODS OF PRODUCTION GOLFETTO MICHAEL (US) 2022-01-13 US disclosed
US-20210087202-A1 HALOGENATED DERIVATIVES OF MORPHINANS AND USES THEREOF XALUD THERAPEUTICS, INC. (US) 2021-03-25 US disclosed
EP-3723749-A1 HALOGENATED DERIVATIVES OF MORPHINANS AND USES THEREOF Xalud Therapeutics, Inc. (US) 2020-10-21 EP disclosed
WO-2019118583-A1 HALOGENATED DERIVATIVES OF MORPHINANS AND USES THEREOF XALUD THERAPEUTICS, INC. (US) 2019-06-20 WO 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 (8 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-20230203053-A1 HALOGENATED DERIVATIVES OF MORPHINANS AND USES THEREOF OPRM1, OPRK1, OPRD1 OPRD1 3/4885OPRM1 1/4885OPRK1 2/4885
US-12528794-B2 MAO-B inhibitor DRG-MAOB-1 for use in treatment of neurodegenerative diseases MAOB, MAOA, ME3 OPRD1 26/4885OPRM1 4/4885OPRK1 13/4885
US-11505556-B2 Halogenated derivatives of morphinans and uses thereof OPRM1, OPRK1, OPRD1 OPRD1 3/4885OPRM1 1/4885OPRK1 2/4885
US-20230088611-A1 A NOVEL SELECTIVE MAO-B INHIBITOR DRG-MAOB-2 FOR USE IN TREATMENT OF NEURODEGENERATIVE DISEASES MAOB, MAOA, HTR2B OPRD1 12/4885OPRM1 19/4885OPRK1 8/4885
US-20260060822-A1 BIOENGINEERED SCAFFOLDS FOR VASCULAR GRAFTS AND METHODS OF USE THEREOF PFKP, PBK, MYLK OPRD1 4518/4885OPRM1 4810/4885OPRK1 2862/4885
US-12478613-B2 Selective MAO-B inhibitor DRG-MAOB-2 for use in treatment of neurodegenerative diseases MAOB, MAOA, HTR2B OPRD1 12/4885OPRM1 14/4885OPRK1 7/4885
US-20230093302-A1 A NOVEL MAO-B INHIBITOR DRG-MAOB-1 FOR USE IN TREATMENT OF NEURODEGENERATIVE DISEASES MAOB, MAOA, HTR1B OPRD1 7/4885OPRM1 9/4885OPRK1 6/4885
US-20210087202-A1 HALOGENATED DERIVATIVES OF MORPHINANS AND USES THEREOF OPRM1, OPRK1, OPRD1 OPRD1 3/4885OPRM1 1/4885OPRK1 2/4885

“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.