SCHEMBL931945

SCHEMBL931945

CC(Cl)c1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CYP3A4 P08684 2/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 3/20 0.36
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
GAA P10253 1/20 0.35
HIF1A Q16665 1/20 0.35
CNR2 P34972 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
SCHEMBL30057869 1.00 ACHE (0.40) ACHECYP3A4IDO1TDO2CES2
SCHEMBL213484 1.00 ACHE (0.40) ACHECYP3A4IDO1TDO2CES2
SCHEMBL2865478 0.81 GABRA1 (0.43) CYP3A4ALDH1A1CYP2C9GABRA1GABRB2
SCHEMBL11258009 0.79 IDO1 (0.42) ACHECYP3A4IDO1TDO2CES2
SCHEMBL84442 0.79 GABRA1 (0.50) ACHECYP3A4IDO1TDO2CES2
SCHEMBL3406218 0.79 IDO1 (0.42) ACHECYP3A4IDO1TDO2CES2
SCHEMBL31852251 0.79 GABRA1 (0.50) ACHECYP3A4IDO1TDO2CES2
SCHEMBL15903486 0.79 ACHE (0.43) ACHECYP3A4IDO1TDO2CES2
SCHEMBL4219819 0.77 IDO1 (0.41) ACHECYP3A4IDO1TDO2CES2
SCHEMBL15247585 0.76 MAPKAPK2 (0.44) ACHECYP3A4IDO1TDO2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322081-B Synthesis method of alkyl alkenyl ketone 南京工业大学 2023-05-16 CN disclosed
CN-115322081-A Synthesis method of alkyl alkenyl ketone 南京工业大学 2022-11-11 CN disclosed
EP-2448939-B1 2,3-DIHYDRO-1H-IMIDAZO {1,2-A} PYRIMIDIN-5-ONE DERIVATIVES, THE PREPARATION AND PHARMACEUTICAL USE THEREOF SANOFI SA (FR) 2017-03-01 EP disclosed
CN-102482286-B Novel 1,2,3, 4-tetrahydropyrimidino {1,2-a } pyrimidin-6-one derivatives, their preparation and their medical use SANOFI SA 2015-07-15 CN disclosed
CN-102482285-B Novel 2,3-dihydro-1h-imidazo(1,2-a)pyrimidin-5-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI SA 2015-07-15 CN disclosed
US-8846670-B2 1,2,3,4-tetrahydro-pyrimido(1,2-a)pyrimidin-6-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8846670-B2 1,2,3,4-tetrahydro-pyrimido(1,2-a)pyrimidin-6-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8846670-B2 1,2,3,4-tetrahydro-pyrimido(1,2-a)pyrimidin-6-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-30 US disclosed
US-8828997-B2 2,3-dihydro-1H-imidazo(1,2-a)pyrimidin-5-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-09 US disclosed
EP-2448940-B1 6,7,8,9-tetrahydro-pyrimido{1,2-a} pyrimidin-4-one derivatives, their preparation and pharmaceutical use thereof SANOFI SA (FR) 2014-05-21 EP disclosed
US-7816360-B2 Microsomal triglyceride transfer protein (MTP) inhibitors, used for the treatment of atherosclerosis, pancreatitis, obesity, hypertriglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and non-insulin dependent diabetes JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES MEERPOEL LIEVEN 2010-01-07 US disclosed
US-7504400-B2 for the treatment of atherosclerosis, pancreatitis, obesity, hyper-triglyceridemia, hypercholesterolemia, hyperlipidemia, diabetes and type II diabetes; apolipoprotein B secretion inhibitors also for lipid lowering activity; compounds can selectively block MTP at the level of the gut wall in mammals JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 US disclosed
EP-1751131-B1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA NV (BE) 2008-11-19 EP disclosed
US-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 US disclosed
CN-1930143-A MTP inhibiting aryl piperidines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA NV (BE) 2007-03-14 CN disclosed
EP-1751131-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-14 EP disclosed
WO-2005085226-A1 MTP INHIBITING ARYL PIPERIDINES OR PIPERAZINES SUBSTITUTED WITH 5-MEMBERED HETEROCYCLES JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-15 WO disclosed
EP-0135249-B1 STYRENE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-11-12 EP disclosed
EP-0135249-A1 Styrene derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-03-27 EP 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-20070191383-A1 Mtp inhibiting aryl piperydines or piperazines substituted with 5-membered heterocycles APOB, PNLIP, LPL ACHE 3353/4885CYP3A4 2551/4885IDO1 3877/4885
US-20100004263-A1 MTP INHIBITING ARYL PIPERIDINES OR PEPERAZINES SUBSTITUTED WITH5-MEMBERED HETEROCYCLES PNLIP, LPL, APOB ACHE 1487/4885CYP3A4 1713/4885IDO1 2433/4885

“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.