SCHEMBL479514

SCHEMBL479514

COc1ccc(OC)c(CCN)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 1.00
ADRA1A P35348 1/20 1.00
AOC3 Q16853 1/20 0.65
IDO1 P14902 2/20 0.62
CYP1A2 P05177 1/20 0.61
HTR2A P28223 1/20 0.59

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
SCHEMBL29491077 1.00 TAAR1 (1.00) TAAR1ADRA1AAOC3IDO1CYP1A2
Hydrochloric Acid SCHEMBL25232952 0.98 TAAR1 (0.96) TAAR1ADRA1AAOC3IDO1CYP1A2
SCHEMBL30284782 0.90 ADRA1A (0.81) TAAR1ADRA1AAOC3IDO1CYP1A2
SCHEMBL30284687 0.90 TAAR1 (0.81) TAAR1ADRA1AAOC3IDO1CYP1A2
SCHEMBL5663448 0.89 ADRA1A (0.80) TAAR1ADRA1AAOC3IDO1HTR2A
Ammonia Solution, Strong SCHEMBL1780499 0.87 ADRA1A (0.77) TAAR1ADRA1AAOC3IDO1HTR2A
SCHEMBL626051 0.85 TAAR1 (0.73) TAAR1ADRA1ACYP1A2HTR2A
SCHEMBL42578 0.84 ADRA1A (0.72) TAAR1ADRA1AAOC3IDO1HTR2A
SCHEMBL31284962 0.83 TAAR1 (0.71) TAAR1ADRA1AAOC3HTR2A
SCHEMBL31166239 0.83 TAAR1 (0.71) TAAR1ADRA1AAOC3CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117110457-A Analysis method for screening 50 new pollutants in sewage by micro-volume direct sample injection technology 司法鉴定科学研究院 2023-11-24 CN claimed
WO-2023114529-A2 PHARMACOACTIVE FORMULATIONS FOR DELIVERY OF PSYCHEDELIC COMPOUNDS BENNES, INC. (US) 2023-06-22 WO claimed
CN-111554440-B High-strength aluminum alloy power transmission wire 广西纵览线缆集团有限公司 2021-10-29 CN claimed
CN-111383790-B Processing method of aluminum alloy conductor for power transmission 广西纵览线缆集团有限公司 2021-10-29 CN claimed
CN-111564243-B Heat-resistant aluminum alloy conductor 广西纵览线缆集团有限公司 2021-10-29 CN claimed
CN-112037966-B High-strength aluminum alloy conductor 广西纵览线缆集团有限公司 2021-10-08 CN claimed
CN-112037991-B Long-distance aluminum alloy power transmission conductor 广西纵览线缆集团有限公司 2021-10-08 CN claimed
CN-111403118-B Manufacturing process of tensile heat-resistant aluminum alloy conductor 广西纵览线缆集团有限公司 2021-09-07 CN claimed
CN-112037991-A Long-distance aluminum alloy power transmission conductor 广西纵览线缆集团有限公司 2020-12-04 CN claimed
CN-112037966-A High-strength aluminum alloy conductor 广西纵览线缆集团有限公司 2020-12-04 CN claimed
EP-1869038-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-2-YLAMINE COMPOUNDS AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2009-07-08 EP claimed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 US claimed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 US claimed
EP-1180991-A4 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2005-10-12 EP claimed
US-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CYTOVIA, INC. 2003-04-24 US claimed
US-6462041-B1 ACTIVATORS OF CASPASE CASCADE; TREATING, PREVENTING OR AMELIORATING NEOPLASIA AND CANCER CYTOVIA, INC. 2002-10-08 US claimed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
EP-1180991-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS Cytovia, Inc. (US) 2002-02-27 EP claimed
WO-2000044216-A1 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA, INC. (US) 2000-08-03 WO claimed
WO-2000044216-A2 GAMBOGIC ACID, ANALOGS AND DERIVATIVES AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS CYTOVIA INC (US) 2000-08-03 WO claimed

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-20030078292-A1 Gambogic acid, analogs and derivatives as activators of caspases and inducers of apoptosis CASP5, CASP3, CASP7 TAAR1 4047/4885ADRA1A 4001/4885AOC3 4174/4885
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 TAAR1 1952/4885ADRA1A 39/4885AOC3 3312/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS TAAR1 1082/4885ADRA1A 4454/4885AOC3 2298/4885
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 TAAR1 60/4885ADRA1A 46/4885AOC3 3774/4885

“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.