SCHEMBL2553015

SCHEMBL2553015

CCOc1ccc(C[C@@H](C)N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.66
NQO1 P15559 1/20 0.56
TAAR1 Q96RJ0 3/20 0.53
SLC6A2 P23975 3/20 0.53
SLC6A3 Q01959 2/20 0.53
MAOA P21397 1/20 0.52

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
SCHEMBL2553013 1.00 SLC6A4 (0.66) SLC6A4NQO1TAAR1SLC6A2SLC6A3
SCHEMBL256094 0.94 SLC6A4 (0.59) SLC6A4NQO1TAAR1SLC6A2SLC6A3
SCHEMBL163358 0.91 ACACB (0.60) SLC6A4
Hydrochloric Acid SCHEMBL164344 0.90 ACACB (0.59)
SCHEMBL10084809 0.85 SLC6A4 (0.61) SLC6A4TAAR1MAOA
SCHEMBL10562624 0.84 SLC6A4 (0.56) SLC6A4TAAR1SLC6A2SLC6A3MAOA
SCHEMBL5018760 0.83 NQO1 (0.61) NQO1
SCHEMBL10774512 0.82 SLC6A4 (0.63) SLC6A4TAAR1SLC6A2SLC6A3MAOA
SCHEMBL17045244 0.82 NQO1 (0.54) SLC6A4NQO1
SCHEMBL17045265 0.82 NQO1 (0.54) SLC6A4NQO1

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-12599578-B2 Compositions comprising enzyme-cleavable prodrugs and controlled release nafamostat and methods of use thereof Ensysce Biosciences Inc. (US) 2026-04-14 US disclosed
EP-4358943-A1 NALTREXONE FOR BOOSTING THE THERAPEUTIC UTILITY OF 5-HT RECEPTOR AGONISTS LDN Pharma Limited (GB) 2024-05-01 EP disclosed
CN-117715632-A Compositions comprising an enzyme-cleavable prodrug and nafamostat and methods of use thereof 恩赛斯生物科学股份有限公司 2024-03-15 CN disclosed
WO-2022269264-A1 NALTREXONE FOR BOOSTING THE THERAPEUTIC UTILITY OF 5-HT RECEPTOR AGONISTS LDN Pharma Limited (GB) 2022-12-29 WO disclosed
US-20220287992-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS AND CONTROLLED RELEASE NAFAMOSTAT AND METHODS OF USE THEREOF 3I, LP 2022-09-15 US disclosed
US-11400062-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2022-08-02 US disclosed
US-11179355-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof SIGNATURE THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof 3I, LP 2020-08-13 US disclosed
US-20160235694-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof 3I, LP 2016-08-18 US disclosed
US-20130059914-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof SIGNATURE THERAPEUTICS, INC. (US) 2013-03-07 US disclosed
EP-2560486-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF Signature Therapeutics, Inc. (US) 2013-02-27 EP disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 US disclosed
US-20120232066-A1 COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS SIGNATURE THERAPEUTICS, INC. 2012-09-13 US disclosed
WO-2012122412-A2 COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS SIGNATURE THERAPEUTICS, INC. (US) 2012-09-13 WO disclosed
WO-2011133348-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
WO-2011133347-A1 COMPOSITIONS COMPRISING TRYPSIN-CLEAVABLE AMPHETAMINE PRODRUGS AND INHIBITORS THEREOF PHARMACOFORE, INC. (US) 2011-10-27 WO disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 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 (9 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-11179355-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof ACHE, COMT, CES2 SLC6A4 352/4885NQO1 1414/4885TAAR1 238/4885
US-20160235694-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 SLC6A4 352/4885NQO1 1414/4885TAAR1 238/4885
US-20220287992-A1 COMPOSITIONS COMPRISING ENZYME-CLEAVABLE PRODRUGS AND CONTROLLED RELEASE NAFAMOSTAT AND METHODS OF USE THEREOF DNPEP, PEPD, CEL SLC6A4 1971/4885NQO1 700/4885TAAR1 2755/4885
US-20120232066-A1 COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS CYP2C19, CYP3A5, CYP3A4 SLC6A4 580/4885NQO1 840/4885TAAR1 1084/4885
US-12599578-B2 Compositions comprising enzyme-cleavable prodrugs and controlled release nafamostat and methods of use thereof OPRK1, OPRL1, OPRM1 SLC6A4 1599/4885NQO1 820/4885TAAR1 543/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS SLC6A4 3378/4885NQO1 3625/4885TAAR1 4008/4885
US-20130059914-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 SLC6A4 352/4885NQO1 1414/4885TAAR1 238/4885
US-11400062-B2 Compositions comprising enzyme-cleavable amphetamine prodrugs and inhibitors thereof ACHE, COMT, CES2 SLC6A4 352/4885NQO1 1414/4885TAAR1 238/4885
US-20200253900-A1 Compositions Comprising Enzyme-Cleavable Amphetamine Prodrugs and Inhibitors Thereof ACHE, COMT, CES2 SLC6A4 352/4885NQO1 1414/4885TAAR1 238/4885

“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.