SCHEMBL680031

SCHEMBL680031

COc1cc2c(cc1O)C1Cc3ccc(OC)c(OC)c3CN1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 17/20 1.00
DRD2 P14416 14/20 1.00
DRD3 P35462 11/20 1.00
SIGMAR1 Q99720 8/20 1.00
DRD5 P21918 4/20 1.00
DRD4 P21917 2/20 1.00
F3 P13726 4/20 0.89
CYP3A4 P08684 2/20 0.83
LMNA P02545 2/20 0.81
KDM4E B2RXH2 1/20 0.81
CYP1A2 P05177 1/20 0.81
CYP2D6 P10635 1/20 0.81
CASP1 P29466 1/20 0.81
CYP2C19 P33261 1/20 0.81
APAF1 O14727 1/20 0.81
BCHE P06276 1/20 0.81
L3MBTL1 Q9Y468 1/20 0.81
TSHR P16473 1/20 0.81

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
SCHEMBL16035972 1.00 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5
SCHEMBL14703846 1.00 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5
SCHEMBL29561422 1.00 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5
SCHEMBL2742469 0.95 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5
SCHEMBL21192511 0.95 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5
SCHEMBL231003 0.95 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5
SCHEMBL29999180 0.95 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5
SCHEMBL13334113 0.94 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5
Hydrochloric Acid SCHEMBL3321082 0.93 DRD1 (0.98) DRD1DRD2DRD3SIGMAR1DRD5
Stepholidine SCHEMBL10001965 0.93 DRD1 (1.00) DRD1DRD2DRD3SIGMAR1DRD5

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106613129-A Planting method for high-yield and high-quality white peony root 枞阳县新农民农业种植有限公司 2017-05-10 CN claimed
US-20160184232-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans MALLINCKRODT BRAND PHARMACEUTICALS LLC (F/K/A MALLINCKRODT BRAND PHARMACEUTICALS, INC.) 2016-06-30 US claimed
CN-103402499-A Methods of producing stabilized solid dosage pharmaceutical compositions containing morphinans MALLINCKRODT LLC 2013-11-20 CN claimed
EP-2654727-A1 METHODS OF PRODUCING STABILIZED SOLID DOSAGE PHARMACEUTICAL COMPOSITIONS CONTAINING MORPHINANS Mallinckrodt LLC (US) 2013-10-30 EP claimed
US-20130273153-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2013-10-17 US claimed
WO-2012087377-A1 METHODS OF PRODUCING STABILIZED SOLID DOSAGE PHARMACEUTICAL COMPOSITIONS CONTAINING MORPHINANS MALLINCKRODT LLC (US) 2012-06-28 WO claimed
US-20110287095-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans Mallinkckrodt Inc. (US) 2011-11-24 US claimed
WO-2011087765-A2 METHODS OF PRODUCING STABILIZED SOLID PHARMACEUTICAL COMPOSITIONS CONTAINING MORPHINANS MALLINCKRODT INC. (US) 2011-07-21 WO claimed
US-20110150989-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans Mallinkckrodt Inc. (US) 2011-06-23 US claimed
WO-2011041470-A2 SUSTAINED-RELEASE OPIATE AND OPIATE DERIVATIVE COMPOSITIONS MALLINCKRODT INC. (US) 2011-04-07 WO claimed
US-20110077222-A1 Sustained-Release Opiate and Opiate Derivative Compositions MALLINCKRODT INC. (US) 2011-03-31 US claimed
EP-3517537-B1 DEUTERATED DERIVATIVE OF L-TETRAHYDROPALMATINE AND MEDICAL USE THEREOF TAIZHOU HUAYUAN MEDICINAL TECH CO LTD (CN) 2023-09-13 EP disclosed
CN-106613129-A Planting method for high-yield and high-quality white peony root 枞阳县新农民农业种植有限公司 2017-05-10 CN disclosed
US-20160184232-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans MALLINCKRODT BRAND PHARMACEUTICALS LLC (F/K/A MALLINCKRODT BRAND PHARMACEUTICALS, INC.) 2016-06-30 US disclosed
CN-103402499-B Preparation comprises the method for the stable pharmaceutical composition as solid dosage form of morphinan MALLINCKRODT LLC (US) 2016-03-30 CN disclosed
WO-2004093876-A2 COMPOSITION CONTAINING BERBERINE OR A DERIVATIVE THEREOF AND AN ANTIMICROBIAL AGENT OR AN ANTIBIOTIC AGENT, AND THEIR USE FOR TREATING ORAL PATHOGENS AND OTHER DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2004-11-04 WO disclosed
US-20020068097-A1 Treatment for irritable bowel syndrome and related conditions ANCILE PHARMACEUTICALS 2002-06-06 US disclosed
WO-2001089546-A2 TREATMENT FOR IRRITABLE BOWEL SYNDROME AND RELATED CONDITIONS ANCILE PHARMACEUTICALS, INC. (US) 2001-11-29 WO disclosed
CN-1280827-A Sigma receptor action medicine containing alkaloid CHENGDU INST BIOLOGY CAS (CN) 2001-01-24 CN disclosed
US-4657861-A S-tetrahydroprotoberberineoxidase, process for producing the same and use thereof CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-04-14 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 (5 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-20110150989-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans LPXN, FSCN1, NCLN DRD1 963/4885DRD2 1084/4885DRD3 1370/4885
US-20110287095-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans LPXN, FSCN1, NCLN DRD1 963/4885DRD2 1084/4885DRD3 1370/4885
US-20110077222-A1 Sustained-Release Opiate and Opiate Derivative Compositions OPRL1, OPRK1, OPRM1 DRD1 213/4885DRD2 85/4885DRD3 57/4885
US-20130273153-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans LPXN, FSCN1, NCLN DRD1 963/4885DRD2 1084/4885DRD3 1370/4885
US-20160184232-A1 Methods of Producing Stabilized Solid Dosage Pharmaceutical Compositions Containing Morphinans LPXN, FSCN1, NCLN DRD1 963/4885DRD2 1084/4885DRD3 1370/4885

“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.