SCHEMBL1986102

SCHEMBL1986102

O=C(O)C(C(=O)O)(c1ccccc1Cl)N1CCc2sccc2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 3/20 0.46
CYP2C19 P33261 3/20 0.46
DRD1 P21728 3/20 0.46
ADRA2A P08913 2/20 0.46
CYP2B6 P20813 2/20 0.46
OPRM1 P35372 2/20 0.46
OPRK1 P41145 2/20 0.46
HTR2B P41595 2/20 0.46
KCNH2 Q12809 2/20 0.46
ALDH1A1 P00352 2/20 0.46
DRD4 P21917 2/20 0.46
DRD3 P35462 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL3628834 0.86 ABCB11 (0.44) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL1269320 0.86 DRD1 (0.47) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL954553 0.86 DRD1 (0.47) ABCB11CYP2C19DRD1ADRA2ACYP2B6
Bromide SCHEMBL2087060 0.85 DRD1 (0.46) ABCB11CYP2C19DRD1ADRA2ACYP2B6
Hydrochloric Acid SCHEMBL3077705 0.85 DRD1 (0.46) ABCB11CYP2C19DRD1ADRA2ACYP2B6
Hydrochloric Acid SCHEMBL3077710 0.85 DRD1 (0.46) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL5024496 0.84 ABCB11 (0.42) ABCB11CYP2C19DRD1ADRA2ACYP2B6
Hydrochloric Acid SCHEMBL6615615 0.84 DRD1 (0.45) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL5028770 0.83 ABCB11 (0.46) ABCB11CYP2C19DRD1ADRA2ACYP2B6
SCHEMBL6208238 0.83 ABCB11 (0.42) ABCB11CYP2C19DRD1ADRA2ACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114938659-B Cardiovascular disease onset risk assessment marker based on metabonomics data and application thereof 中国医学科学院阜外医院 2025-03-04 CN claimed
CN-111665303-B Kit for detecting anti-platelet drugs in plasma by ultra-high performance liquid chromatography tandem mass spectrometry technology 南京品生医疗科技有限公司 2023-05-05 CN claimed
CN-114938659-A Cardiovascular disease onset risk assessment marker based on metabonomics data and application 中国医学科学院阜外医院 2022-08-23 CN claimed
CN-111812223-B Method for detecting antiplatelet drugs in plasma by ultra-high performance liquid chromatography tandem mass spectrometry technology 南京品生医学检验实验室有限公司 2022-08-16 CN claimed
WO-2022166935-A1 CARDIOVASCULAR DISEASE INCIDENCE RISK ASSESSMENT MARKER BASED ON METABOLOMIC DATA AND APPLICATION THEREOF 中国医学科学院阜外医院 2022-08-11 WO claimed
CN-112509704-A Acute coronary syndrome early warning method and device based on metabonomics data 中国医学科学院阜外医院 2021-03-16 CN claimed
CN-112509695-A Acute coronary syndrome early warning method and device for stable coronary heart disease patient 中国医学科学院阜外医院 2021-03-16 CN claimed
CN-112505199-A Stable coronary heart disease early warning method and device based on metabonomics data 中国医学科学院阜外医院 2021-03-16 CN claimed
CN-111812223-A Method for detecting antiplatelet drugs in plasma by ultra-high performance liquid chromatography tandem mass spectrometry technology 南京品生医学检验实验室有限公司 2020-10-23 CN claimed
CN-111665303-A Kit for detecting antiplatelet drugs in plasma by ultra-high performance liquid chromatography tandem mass spectrometry technology 南京品生医疗科技有限公司 2020-09-15 CN claimed
CN-114938659-B Cardiovascular disease onset risk assessment marker based on metabonomics data and application thereof 中国医学科学院阜外医院 2025-03-04 CN disclosed
CN-114938659-B Cardiovascular disease onset risk assessment marker based on metabonomics data and application thereof 中国医学科学院阜外医院 2025-03-04 CN disclosed
US-20250066381-A1 ONE-POT, MULTI-COMPONENT MANUFACTURING METHOD FOR TETRAHYDROTHIENOPYRIDINE DERIVATIVES INCLUDING N-SUBSTITUTED AMINO ACIDS MOLECULES & MATERIALS (KR) 2025-02-27 US disclosed
CN-114286823-B Optically active 2-hydroxy tetrahydrothiophene pyridine derivative and preparation method and application thereof 天地恒一制药股份有限公司 2023-11-28 CN disclosed
CN-116744921-A Optically active 2-hydroxy tetrahydrothiophene pyridine derivative and preparation method and application thereof 天地恒一制药股份有限公司 2023-09-12 CN disclosed
EP-2152078-A1 FORMULATIONS CONTAINING CLOPIDOGREL AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USE CyDex Pharmaceuticals, Inc. (US) 2010-02-17 EP disclosed
US-20090214602-A1 ORAL DOSAGE FORMS INCLUDING AN ANTIPLATELET AGENT AND AN ENTERICALLY COATED ACID INHIBITOR KG ACQUISITION LLC 2009-08-27 US disclosed
WO-2008134600-A1 FORMULATIONS CONTAINING CLOPIDOGREL AND SULFOALKYL ETHER CYCLODEXTRIN AND METHODS OF USE CYDEX PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
EP-1966219-A1 PROCESS FOR THE PREPARATION OF S-(+)-CLOPIDOGREL BY OPTICAL RESOLUTION SK CHEMICALS CO., LTD. (KR) 2008-09-10 EP disclosed
WO-2007074995-A1 PROCESS FOR THE PREPARATION OF S-(+)-CLOPIDOGREL BY OPTICAL RESOLUTION SK CHEMICALS CO., LTD. (KR) 2007-07-05 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 (1 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-20250066381-A1 ONE-POT, MULTI-COMPONENT MANUFACTURING METHOD FOR TETRAHYDROTHIENOPYRIDINE DERIVATIVES INCLUDING N-SUBSTITUTED AMINO ACIDS TBXAS1, TASP1, GART ABCB11 355/4885CYP2C19 217/4885DRD1 1467/4885

“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.