SCHEMBL2450101

SCHEMBL2450101

O=C(O)CC1CCC2(CC1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 11/20 0.39
FFAR1 O14842 1/20 0.39
SLC6A1 P30531 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRB2 P47870 2/20 0.38
SLC6A12 P48065 2/20 0.38
SLC6A11 P48066 2/20 0.38
SLC6A13 Q9NSD5 2/20 0.38
GABRA1 P14867 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRA4 P48169 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL594660 0.85 ALDH1A1 (0.38) ALDH1A1GPR119LMNAMAPK1MAPT
SCHEMBL12467313 0.84 GPR119 (0.39) ALDH1A1GPR119LMNAMAPK1POLB
SCHEMBL31501258 0.82 KCNH2 (0.38) ALDH1A1GPR119LMNAMAPK1
SCHEMBL22941220 0.81 GPR119 (0.40) FFAR4ALDH1A1GPR119LMNAMAPK1
SCHEMBL966486 0.78 GPR119 (0.39) ALDH1A1GPR119LMNAMAPK1POLB
SCHEMBL3018349 0.78 GPR119 (0.44) ALDH1A1GPR119LMNAMAPK1POLB
SCHEMBL3306431 0.77 FFAR4 (0.37) FFAR4FFAR1SLC6A1GABRA5GABRB2
SCHEMBL13327501 0.77 FFAR4 (0.37) FFAR4FFAR1SLC6A1GABRA5GABRB2
SCHEMBL25204166 0.76 CYP2D6 (0.46) ALDH1A1GPR119LMNAMAPK1POLB
SCHEMBL966487 0.75 FFAR4 (0.36) FFAR4FFAR1SLC6A1GABRA5GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038268-A2 CARBONYLATED (AZA)CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2009-03-25 EP claimed
WO-2007148208-A2 CARBONYLATED (AZA) CYCLOHEXANES AS DOPAMINE D3 RECEPTOR LIGANDS BIOPROJET (FR) 2007-12-27 WO claimed
EP-1870405-A1 Carbonylated (Aza)cyclohexanes as dopamine D3 receptor ligands BIOPROJET (FR) 2007-12-26 EP claimed
CN-118076581-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-24 CN disclosed
US-20210070708-A1 Pharmaceutically Active Compounds BERGENBIO ASA (NO) 2021-03-11 US disclosed
US-10766861-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2020-09-08 US disclosed
WO-2019196780-A1 NOVEL INDOLEAMINE 2,3-DIOXYGENASE INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 信达生物制药(苏州)有限公司 2019-10-17 WO disclosed
US-10336702-B2 Pharmaceutically active compounds BERGENBIO ASA (NO) 2019-07-02 US disclosed
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2018-02-01 US disclosed
EP-3240784-A2 INHIBITORS OF AKT KINASE BerGenBio ASA (NO) 2017-11-08 EP disclosed
WO-2016102672-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS BERGENBIO AS (NO) 2016-06-30 WO disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
WO-2003062265-A2 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2003-07-31 WO disclosed
US-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS TSAKLAKIDIS CHRISTOS (DE) 2001-07-26 US disclosed
US-5977110-A Substituted cyclohexylamines as central nervous systems agents WARNER-LAMBERT COMPANY (US) 1999-11-02 US disclosed
WO-1997011070-A1 SUBSTITUTED CYCLOHEXYLAMINES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-03-27 WO disclosed
WO-1992012977-A1 SUBSTITUTED INDOLES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-06 WO disclosed
US-5124332-A Dopaminergic agents, hypotensive agents WARNER-LAMBERT COMPANY (US) 1992-06-23 US disclosed
US-4988699-A Treatment of psychological disorders such as schizophrenia, as antipsychotic agents and hypotensive agents WARNER-LAMBERT COMPANY (US) 1991-01-29 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-10336702-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 FFAR4 3710/4885FFAR1 3634/4885SLC6A1 1605/4885
US-20010009912-A1 NEW DERIVATIVES OF PYRIDIL PIPERAZINE OR PYRIDAZINYL PIPERAZYL, PROCESS FOR PRODUCTION THEREOF AND MEDICAMENTS CONTAINING THESE COMPOUNDS CYP4B1, NR4A1, CYP3A43 FFAR4 1872/4885FFAR1 2884/4885SLC6A1 4575/4885
US-20210070708-A1 Pharmaceutically Active Compounds UGT2B7, CYP3A5, UGT1A1 FFAR4 3679/4885FFAR1 3568/4885SLC6A1 1666/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP FFAR4 4655/4885FFAR1 4563/4885SLC6A1 4726/4885
US-10766861-B2 Pharmaceutically active compounds UGT2B7, CYP3A5, UGT1A1 FFAR4 3679/4885FFAR1 3568/4885SLC6A1 1666/4885
US-20180029985-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS UGT2B7, CYP3A5, UGT1A1 FFAR4 3710/4885FFAR1 3634/4885SLC6A1 1605/4885

“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.