SCHEMBL4373378

SCHEMBL4373378

COc1cc(CC[N+](=O)[O-])ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.61
TSHR P16473 2/20 0.61
MAPK1 P28482 1/20 0.61
LMNA P02545 1/20 0.59
GLA P06280 1/20 0.59
PTPN1 P18031 2/20 0.58
ALOX5 P09917 2/20 0.57
OR51E2 Q9H255 1/20 0.57
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
NFKB1 P19838 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NOS2 P35228 1/20 0.52
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
FOS P01100 1/20 0.51
TTR P02766 1/20 0.51
JUN P05412 1/20 0.51
NR3C1 P04150 1/20 0.51
HSD17B1 P14061 1/20 0.51

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
SCHEMBL29031938 0.88 CYP1A2 (0.59) TSHRLMNAGAANFKB1CYP3A4
SCHEMBL8343609 0.85 ATM (0.56) CYP3A4CYP1A2CYP2C19
SCHEMBL29638741 0.85 ATM (0.56) CYP3A4CYP1A2CYP2C19
SCHEMBL29604390 0.81 PTPN1 (0.82) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL17780116 0.81 PTPN1 (0.82) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL9618618 0.80 ALOX15 (0.55) TAAR1TSHRMAPK1LMNAALOX5
SCHEMBL29740697 0.79 PTPN1 (0.79) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL9281549 0.78 TAAR1 (0.76) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL5072123 0.78 TAAR1 (0.76) TAAR1TSHRMAPK1LMNAGLA
SCHEMBL11113382 0.78 TSHR (0.61) TAAR1TSHRMAPK1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063192-B Synthesis method of dopamine hydrochloride 武汉武药制药有限公司 2025-04-08 CN disclosed
CN-116731005-B PCSK9 small molecular protein degradation agent and preparation method and application thereof 复旦大学 2024-04-16 CN disclosed
CN-116731005-A PCSK9 small molecular protein degradation agent and preparation method and application thereof 复旦大学 2023-09-12 CN disclosed
WO-2023165373-A1 MICROMOLECULAR PCSK9 PROTEIN DEGRADATION AGENT, PREPARATION METHOD THEREFOR, AND USE THEREOF 复旦大学 2023-09-07 WO disclosed
CN-116283654-A Process for efficiently preparing dopamine hydrochloride bulk drug 湖南恒生制药股份有限公司 2023-06-23 CN disclosed
CN-116063192-A Synthesis method of dopamine hydrochloride 武汉武药制药有限公司 2023-05-05 CN disclosed
EP-3515891-B1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME LLC (US) 2023-03-08 EP disclosed
CN-111892507-B Synthesis method of dopamine hydrochloride 山东达冠医药科技有限公司 2022-11-29 CN disclosed
CN-110511147-B Method for reducing nitroolefin 武汉嘉诺康医药技术有限公司 2022-06-17 CN disclosed
US-11008313-B2 Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders MERCK SHARP & DOHME CORP. (US) 2021-05-18 US disclosed
EP-3515891-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS Merck Sharp & Dohme Corp. (US) 2019-07-31 EP disclosed
WO-2018057409-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME CORP. (US) 2018-03-29 WO disclosed
WO-2018057409-A1 SUBSTITUTED 1-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE MOLECULES AS PCSK9 ALLOSTERIC BINDERS MERCK SHARP & DOHME CORP. (US) 2018-03-29 WO disclosed
US-7521579-B2 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2009-04-21 US disclosed
US-7521579-B2 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. (US) 2009-04-21 US disclosed
EP-1444195-B1 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2005-08-10 EP disclosed
EP-1526128-A2 Process the preparation of alpha-hydroxycarboxylic acid amides Syngenta Participations AG (CH) 2005-04-27 EP disclosed
US-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides SYNGENTA CROP PROTECTION, INC. 2005-01-20 US disclosed
EP-1444195-A2 PROCESS FOR THE PREPARATION OF ALPHA-HYDROXYCARBOXYLIC ACID AMIDES Syngenta Participations AG (CH) 2004-08-11 EP disclosed
WO-2003042166-A2 PROCESS FOR PREPARATION OF α-HYDROXYCARBOXYLIC ACID AMIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-05-22 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 (2 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-20050014950-A1 Process for the preparation of alpha hydroxycarboxylic acid amides HCAR1, HCAR3, HCAR2 TAAR1 340/4885TSHR 2562/4885MAPK1 2366/4885
US-11008313-B2 Substituted 1-methyl-1,2,3,4-tetrahydroisoquinoline molecules as PCSK9 allosteric binders PCSK9, PCSK7, LDLR TAAR1 2767/4885TSHR 917/4885MAPK1 625/4885

“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.