SCHEMBL632475

SCHEMBL632475

NCCc1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 1.00
SLC6A4 P31645 2/20 0.59
CALM1 P0DP23 2/20 0.57
SLC6A2 P23975 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CYP3A4 P08684 4/20 0.55
CYP1A2 P05177 2/20 0.55
MAPT P10636 1/20 0.55
CMA1 P23946 1/20 0.51
CYP2D6 P10635 1/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
MIF P14174 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
SCHEMBL29633110 1.00 TAAR1 (1.00) TAAR1SLC6A4CALM1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL857029 0.98 TAAR1 (0.96) TAAR1SLC6A4CALM1SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL29836913 0.98 TAAR1 (0.96) TAAR1SLC6A4CALM1SLC6A2SLC6A3
Methane SCHEMBL11744005 0.98 TAAR1 (0.96) TAAR1SLC6A4CALM1SLC6A2SLC6A3
Hypochlorous Acid SCHEMBL7493535 0.94 TAAR1 (0.89) TAAR1SLC6A4CALM1SLC6A2SLC6A3
SCHEMBL29694229 0.89 TAAR1 (0.79) TAAR1SLC6A4CALM1SLC6A2SLC6A3
SCHEMBL1813526 0.89 TAAR1 (0.79) TAAR1SLC6A4CALM1SLC6A2SLC6A3
SCHEMBL1253622 0.88 TAAR1 (0.79) TAAR1SLC6A4CALM1SLC6A2SLC6A3
SCHEMBL108087 0.87 TAAR1 (0.77) TAAR1SLC6A4CALM1SLC6A2SLC6A3
SCHEMBL30928249 0.87 TAAR1 (0.77) TAAR1SLC6A4CALM1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118737523-B Crosslinked polyethylene insulated medium-high voltage power cable and preparation method thereof 无锡江南电缆有限公司 2025-05-23 CN claimed
US-20250136548-A1 FUNCTIONALIZED ALKYLAMINES TERRAN BIOSCIENCES INC (US) 2025-05-01 US claimed
CN-118126023-A Pyrazole amide compound as well as preparation method and application thereof 安徽中医药大学 2024-06-04 CN claimed
CN-117903660-A Antibacterial clean type epoxy drinking water tank paint and preparation method thereof 浙江鱼童新材料股份有限公司 2024-04-19 CN claimed
CN-117442609-A Application of tetrahydrocarbazole derivative in preventing and treating cow mastitis pathogenic bacteria 兰州大学 2024-01-26 CN claimed
CN-117281120-A Application of tetrahydrocarbazole derivative in preventing and controlling agricultural bacterial diseases 兰州大学 2023-12-26 CN claimed
CN-114316951-B Cadmium-based two-dimensional hybridization perovskite long afterglow material, and preparation method and application thereof 南京邮电大学 2023-12-22 CN claimed
WO-2023141595-A2 FUNCTIONALIZED ALKYLAMINES TERRAN BIOSCIENCES, INC. (US) 2023-07-27 WO claimed
CN-114057723-B Synthesis method of 13-methyl berberine alkaloid 四川大学 2023-05-26 CN claimed
CN-115093427-B Medicine for treating Alzheimer disease and related diseases causing cognitive disorder 哈尔滨医科大学 2023-03-24 CN claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-21 US claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 TAAR1 2591/4885SLC6A4 4274/4885CALM1 3492/4885
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR1 TAAR1 2190/4885SLC6A4 3019/4885CALM1 2764/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 TAAR1 4180/4885SLC6A4 4337/4885CALM1 2638/4885
US-20250136548-A1 FUNCTIONALIZED ALKYLAMINES BDNF, HTR2A, NTRK2 TAAR1 146/4885SLC6A4 111/4885CALM1 2744/4885

“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.