SCHEMBL2238431

SCHEMBL2238431

Brc1ccc([C@@H]2CO2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KDM1A O60341 5/20 0.44
KCNH2 Q12809 2/20 0.44
MAOB P27338 2/20 0.44
RCOR1 Q9UKL0 2/20 0.44
KDM1B Q8NB78 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTR2C P28335 2/20 0.43
HTR2B P41595 2/20 0.43
CYP2A6 P11509 1/20 0.42
MDM2 Q00987 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C9 P11712 1/20 0.36

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
SCHEMBL916179 1.00 TSHR (0.56) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL83447 1.00 TSHR (0.56) TSHRSLC6A2SLC6A4SLC6A3KDM1A
Methyl Alcohol SCHEMBL8767666 0.93 TSHR (0.50) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL46155 0.86 TSHR (0.72) TSHR
SCHEMBL5853845 0.84 TSHR (0.41) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL8250970 0.83 TSHR (0.40) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL15348686 0.81 SLC6A2 (0.46) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL17548454 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
SCHEMBL17548027 0.80 KDM1A (0.38) TSHRSLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL13606171 0.80 SLC6A2 (0.45) TSHRSLC6A2SLC6A4SLC6A3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119662578-A Styrene monooxygenase combined mutant and application thereof 中国科学院成都生物研究所 2025-03-21 CN claimed
CN-115927276-B Halohydrin dehalogenase mutant and application thereof in synthesis of chiral oxazolidinone 中国科学院天津工业生物技术研究所 2024-08-27 CN claimed
CN-119662578-A Styrene monooxygenase combined mutant and application thereof 中国科学院成都生物研究所 2025-03-21 CN disclosed
CN-115927276-B Halohydrin dehalogenase mutant and application thereof in synthesis of chiral oxazolidinone 中国科学院天津工业生物技术研究所 2024-08-27 CN disclosed
CN-115927276-A Halogen alcohol dehalogenase mutant and application thereof in synthesizing chiral oxazolidinone 中国科学院天津工业生物技术研究所 2023-04-07 CN disclosed
US-20220162211-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PARASITIC DISEASES THE BROAD INSTITUTE, INC. (US) 2022-05-26 US disclosed
US-11174260-B2 Compounds and methods for the treatment of parasitic diseases THE BROAD INSTITUTE, INC. (US) 2021-11-16 US disclosed
US-20160289235-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA THE BROAD INSTITUTE, INC. (US) 2016-10-06 US disclosed
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2015-06-18 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
US-7432258-B2 Morpholinyl and pyrrolidinyl analogs SMITHKLINE BEECHAM CORPORATION (US) 2008-10-07 US disclosed
WO-2008064817-A2 METHOD FOR THE STEREOSELECTIVE SYNTHESIS OF CHIRAL EPOXIDES BY ADH REDUCTION OF KETONES SUBSTITUTED WITH ALPHA STARTING GROUPS AND CYCLISATION ARCHIMICA GMBH (DE) 2008-06-05 WO disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US disclosed
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension GLAXOSMITHKLINE LLC 2008-01-24 US 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 (6 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-20160289235-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA G6PD, CYP11B2, GLS2 TSHR 3225/4885SLC6A2 1518/4885SLC6A4 3141/4885
US-20150164888-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 TSHR 291/4885SLC6A2 1674/4885SLC6A4 1367/4885
US-20220162211-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PARASITIC DISEASES PIGO, CAT, OAT TSHR 4432/4885SLC6A2 1490/4885SLC6A4 2155/4885
US-20150164889-A1 CYCLOPROPYL AMIDE DERIVATIVES HRH4, HRH2, HRH3 TSHR 291/4885SLC6A2 1674/4885SLC6A4 1367/4885
US-20080021023-A1 4'-[(1R)-1-[[(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin- 4-yl)acetyl](methyl)amino]-2-(4-morpholinyl)ethyl]-4-biphenylcarboxylic acid; as antagonists of urotensin II, congestive heart failure, stroke, ischemic heart disease (e.g. angina, myocardial ischemia), cardiac arrhythmia, hypertension UTS2R, PLAUR, FABP3 TSHR 2508/4885SLC6A2 3706/4885SLC6A4 3322/4885
US-11174260-B2 Compounds and methods for the treatment of parasitic diseases PIGO, CAT, OAT TSHR 4432/4885SLC6A2 1490/4885SLC6A4 2155/4885

“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.