SCHEMBL9760089

SCHEMBL9760089

CCOC(=O)CCC(C1CC1)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ALOX15 P16050 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SMYD3 Q9H7B4 1/20 0.40
USP2 O75604 1/20 0.40
TRPA1 O75762 1/20 0.39
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL12561174 0.86 GAA (0.45) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL27649923 0.81 CYP1A2 (0.44) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL9957937 0.80 ALDH1A1 (0.43) L3MBTL1KMT2APOLBCYP1A2GAA
SCHEMBL27276025 0.78 L3MBTL1 (0.44) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL6564298 0.77 L3MBTL1 (0.42) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL2888407 0.76 L3MBTL1 (0.37) L3MBTL1KMT2APOLBCYP1A2MGAM
Succinic Acid Diethyl Ester SCHEMBL22780 0.76 GAA (0.67) L3MBTL1POLBCYP1A2MGAMGAA
Succinic Acid Diethyl Ester SCHEMBL27768067 0.76 GAA (0.67) L3MBTL1POLBCYP1A2MGAMGAA
SCHEMBL8213375 0.74 L3MBTL1 (0.47) L3MBTL1KMT2APOLBCYP1A2MGAM
SCHEMBL28818362 0.74 CYP1A2 (0.48) L3MBTL1KMT2APOLBCYP1A2MGAM

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885726-B1 ORTHO-CONDENSED 2-PYRIDINONE DERIVATIVES AS NICOTINIC ACID RECEPTOR AGONISTS FOR THE TREATMENT OF DYSLIPIDEMIA MERCK SHARP & DOHME (US) 2016-12-14 EP disclosed
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 US disclosed
US-7750015-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-07-06 US disclosed
US-7750015-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-07-06 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
US-7723342-B2 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION (US) 2010-05-25 US disclosed
US-7723342-B2 Heterocycles as nicotinic acid receptor agonists for the treatment of dyslipidemia SCHERING CORPORATION (US) 2010-05-25 US disclosed
WO-2008060476-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-05-22 WO disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-5026863-A Medicinal products in racemic or enantiomorph form; calcium channel blockers. hypotensive agents, cardiovascular disorders ADIR ET COMPAGNIE (FR) 1991-06-25 US disclosed
US-4983740-A Multistep; from 2- 2-/2-chloroethoxy/ethoxy!ethanol and potassium phthalimide ADIR ET COMPAGNIE (FR) 1991-01-08 US disclosed
US-4870091-A CALCIUM CHANNEL BLOCKERS ADIR ET CIE (FR) 1989-09-26 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 (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-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 L3MBTL1 4607/4885KMT2A 3599/4885POLB 1857/4885
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof CYP11B2, CYP11B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 L3MBTL1 4571/4885KMT2A 3657/4885POLB 1965/4885
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 L3MBTL1 4607/4885KMT2A 3599/4885POLB 1857/4885
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 L3MBTL1 4607/4885KMT2A 3599/4885POLB 1857/4885

“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.