SCHEMBL42578

SCHEMBL42578

COc1ccc(OC)c(CN)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.72
TAAR1 Q96RJ0 1/20 0.72
IDO1 P14902 2/20 0.67
HTR2A P28223 1/20 0.62
AOC3 Q16853 1/20 0.59
HSD17B10 Q99714 1/20 0.58
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
KMT2A Q03164 1/20 0.53
ADRA2A P08913 1/20 0.53
HTR2B P41595 1/20 0.50

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
SCHEMBL27907644 0.87 ADRA1A (0.57) ADRA1ATAAR1IDO1HTR2AAOC3
SCHEMBL479514 0.84 TAAR1 (1.00) ADRA1ATAAR1IDO1HTR2AAOC3
SCHEMBL29491077 0.84 TAAR1 (1.00) ADRA1ATAAR1IDO1HTR2AAOC3
SCHEMBL29350908 0.83 APLNR (0.63) ADRA1ATAAR1IDO1HTR2ACA12
SCHEMBL153750 0.83 APLNR (0.63) ADRA1ATAAR1IDO1HTR2ACA12
SCHEMBL5252421 0.83 IDO1 (0.66) ADRA1ATAAR1IDO1HTR2AAOC3
Hydrochloric Acid SCHEMBL25232952 0.82 TAAR1 (0.96) ADRA1ATAAR1IDO1HTR2AAOC3
SCHEMBL15173398 0.82 ADRA1A (0.51) ADRA1ATAAR1IDO1HTR2AAOC3
SCHEMBL28041255 0.82 ADRA1A (0.51) ADRA1ATAAR1IDO1HTR2AAOC3
Hydrochloric Acid SCHEMBL1197172 0.82 APLNR (0.61) ADRA1ATAAR1IDO1HTR2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-115322201-B Macrocyclic column aromatic compound, and preparation method and application thereof 湖南科技学院 2024-01-26 CN claimed
CN-115322201-A Macrocyclic column aromatic compound and preparation method and application thereof 湖南科技学院 2022-11-11 CN claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
CN-105505128-A Near-infrared light response self-repairing coating and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY 2016-04-20 CN claimed
US-20250171582-A1 CURING AGENT COMPOSITION FOR THERMOSETTING RESIN, EPOXY RESIN COMPOSITION, AND FIBER-REINFORCED COMPOSITE MATERIAL TEIJIN LIMITED (JP) 2025-05-29 US disclosed
EP-4471073-A1 CURING AGENT COMPOSITION FOR THERMOSETTING RESIN, EPOXY RESIN COMPOSITION, AND FIBER-REINFORCED COMPOSITE MATERIAL Teijin Limited (JP) 2024-12-04 EP disclosed
US-20240382488-A1 NEK7 INHIBITORS Halia Therapeutics, Inc. 2024-11-21 US disclosed
US-12139686-B2 Lubricating composition and method of lubricating an internal combustion engine THE LUBRIZOL CORPORATION (US) 2024-11-12 US disclosed
US-12091413-B2 Inhibitors of NEK7 kinase Halia Therapeutics, Inc. (US) 2024-09-17 US disclosed
EP-4405359-A2 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-31 EP disclosed
EP-0858262-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
US-5716965-A Substituted 3-aminoquinuclidines PFIZER INC. (US) 1998-02-10 US disclosed
WO-1997015190-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-05-01 WO disclosed
EP-0585328-A1 SUBSTITUTED 3-AMINOQUINUCLIDINES PFIZER INC. (US) 1994-03-09 EP disclosed
CN-1068571-A The 3-amino quinine ring that replaces PFIZER (US) 1993-02-03 CN disclosed
WO-1992020676-A1 SUBSTITUTED 3-AMINOQUINUCLIDINES PFIZER INC. (US) 1992-11-26 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 (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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT ADRA1A 3834/4885TAAR1 3840/4885IDO1 3872/4885
US-20240382488-A1 NEK7 INHIBITORS NEK7, NEK11, NEK2 ADRA1A 834/4885TAAR1 2293/4885IDO1 3938/4885
US-12091413-B2 Inhibitors of NEK7 kinase NEK7, NEK1, NEK5 ADRA1A 862/4885TAAR1 2814/4885IDO1 3103/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B ADRA1A 183/4885TAAR1 173/4885IDO1 2561/4885

“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.