SCHEMBL29633110

SCHEMBL29633110

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
SCHEMBL632475 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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-115093427-A Medicine for treating Alzheimer disease and related diseases causing cognitive disorder 哈尔滨医科大学 2022-09-23 CN claimed
US-20260053792-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2026-02-26 US disclosed
US-12441683-B2 7-methyl indole analogs and dosage forms containing the same Kuleon, LLC (US) 2025-10-14 US disclosed
US-20250282722-A1 7-METHYL INDOLE ANALOGS AND DOSAGE FORMS CONTAINING THE SAME KULEON LLC (US) 2025-09-11 US disclosed
EP-4563575-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-06-04 EP disclosed
US-20250049791-A1 Synthesis of MEK7 Inhibitors and methods of Use Thereof NORTHWESTERN UNIVERSITY 2025-02-13 US disclosed
EP-4452986-A1 SEROTONIN RECEPTOR AGONISTS AND METHODS OF MAKING AND USING THE SAME Kuleon LLC (US) 2024-10-30 EP disclosed
CN-114685473-B 5-Alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2024-10-29 CN disclosed
CN-116270628-B Pharmaceutical composition for preventing and treating Alzheimer disease and related diseases causing cognitive dysfunction 哈尔滨医科大学 2024-08-23 CN disclosed
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN disclosed
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 disclosed
WO-2023023298-A1 HALLUCINOGENIC AND NON-HALLUCINOGENIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PSILOSTERICS, LLC (US) 2023-02-23 WO disclosed
CN-115093427-A Medicine for treating Alzheimer disease and related diseases causing cognitive disorder 哈尔滨医科大学 2022-09-23 CN disclosed
CN-114716331-A Preparation method of dopamine hydrochloride 福安药业集团宁波天衡制药有限公司 2022-07-08 CN disclosed
CN-114685473-A 5-alkyl-2-pyrazole-oxazolidine-4-ketone derivative and application thereof 杭州百新生物医药科技有限公司 2022-07-01 CN disclosed
WO-2022135601-A1 5-ALKYL-2-PYRAZOLE-OXAZOLIDINE-4-KETONE DERIVATIVE AND USE THEREOF 杭州百新生物医药科技有限公司 2022-06-30 WO disclosed
CN-114634509-A Full continuous flow preparation method of (-) -tetrahydroberberine alkaloid 复旦大学 2022-06-17 CN disclosed
CN-113735847-B Synthetic preparation method of berberine hydrochloride 四川大学 2022-06-07 CN disclosed
WO-2022115798-A2 COMPOSITIONS AND METHODS FOR TREATING MIGRAINE WESANA HEALTH INC. (US) 2022-06-02 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-20250282722-A1 7-METHYL INDOLE ANALOGS AND DOSAGE FORMS CONTAINING THE SAME HTR7, HTR2C, HTR1A TAAR1 36/4885SLC6A4 21/4885CALM1 619/4885
US-20250049791-A1 Synthesis of MEK7 Inhibitors and methods of Use Thereof MAPK7, MAP3K7, NRAS TAAR1 4335/4885SLC6A4 4547/4885CALM1 3236/4885
US-12441683-B2 7-methyl indole analogs and dosage forms containing the same HTR7, HTR2C, HTR1A TAAR1 36/4885SLC6A4 21/4885CALM1 619/4885
US-20260053792-A1 POLYSUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, METHOD FOR PREPARING SAME, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF TFEB, SNCA, PARK7 TAAR1 3918/4885SLC6A4 1723/4885CALM1 2392/4885

“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.