SCHEMBL528662

SCHEMBL528662

OC1[CH]Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ACP3 P15309 1/20 0.36
RET P07949 1/20 0.34
HTR2C P28335 1/20 0.34
HRH1 P35367 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ANPEP P15144 1/20 0.33

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
SCHEMBL6763552 1.00 HTR2A (0.38) HTR2AMAOAMAOBACP3RET
SCHEMBL3078945 1.00 HTR2A (0.38) HTR2AMAOAMAOBACP3RET
SCHEMBL4440305 0.77 HTR2A (0.35) HTR2AMAOAMAOBACP3RET
SCHEMBL31276808 0.77 HTR2A (0.35) HTR2AMAOAMAOBACP3RET
SCHEMBL5751646 0.71 HTR2A (0.38) HTR2AHTR2CHRH1
SCHEMBL6629432 0.71 HTR2A (0.48) HTR2ARETHTR2CHRH1ANPEP
SCHEMBL5749663 0.71 HTR2A (0.38) HTR2ARETHTR2CHRH1GRIN2D
SCHEMBL3426562 0.71 HTR2A (0.38) HTR2AMAOAMAOBACP3RET
SCHEMBL6632659 0.71 PDPK1 (0.46) HTR2AHTR2CHRH1HDAC4HDAC7
SCHEMBL6632780 0.70 HTR2C (0.39) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2013-08-01 US claimed
EP-2598158-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX Institut de Cardiologie de Montréal (CA) 2013-06-05 EP claimed
EP-2074096-B1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS HOFFMANN LA ROCHE (CH) 2012-06-27 EP claimed
EP-2450350-A1 3-Pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents F. Hoffmann-La Roche AG (CH) 2012-05-09 EP claimed
WO-2012012870-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2012-02-02 WO claimed
US-7812028-B2 3-pyridinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN-LA ROCHE INC. (US) 2010-10-12 US claimed
CN-101522626-A 3-pyridinecarboxamide and 2-pyrazinecarboxamide derivatives as HDL-cholesterol raising agents HOFFMANN LA ROCHE (CH) 2009-09-02 CN claimed
EP-2074096-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2009-07-01 EP claimed
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS ANDJELKOVIC MIRJANA 2009-06-04 US claimed
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 US claimed
WO-2008040651-A1 3-PYRIDINECARBOXAMIDE AND 2-PYRAZINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2008-04-10 WO claimed
EP-1432691-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP claimed
US-20040063691-A1 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-04-01 US claimed
WO-2003040107-A1 IMIDAZOLE-4-CARBOXAMIDE DERIVATIVES, PREPARATION AND USE THEREOF FOR TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 WO claimed
US-6313247-B1 Cinchonan based chiral selectors for separation of stereoisomers LINDNER WOLFGANG (AT) 2001-11-06 US claimed
EP-0912563-A1 CINCHONAN BASED CHIRAL SELECTORS FOR SEPARATION OF STEREOISOMERS Lindner, Wolfgang, Prof. Dr. (AT) 1999-05-06 EP claimed
WO-1997046557-A1 CINCHONAN BASED CHIRAL SELECTORS FOR SEPARATION OF STEREOISOMERS LINDNER WOLFGANG (AT) 1997-12-11 WO claimed
US-20150374675-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX INSTITUT DE CARDIOLOGIE DE MONTREAL (CA) 2015-12-31 US disclosed
US-6093753-A CURABLE COMPOSITION COMPRISING A CATIONIC POLYMERIZABLE COMPOUND WHICH IS AN ALICYCLIC EPOXY COMPOUND OR A VINYL ETHER COMPOUND AND A CATIONIC POLYMERIZATION INITIATOR; PAINTS, ADHESIVES, INKS, PHOTORESISTS NIPPON SODA CO., LTD. (JP) 2000-07-25 US disclosed
EP-0846681-A1 NOVEL SULFONIUM SALT COMPOUNDS, POLYMERIZATION INITIATOR, CURABLE COMPOSITION, AND CURING METHOD NIPPON SODA CO., LTD. (JP) 1998-06-10 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 (5 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-20150374675-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP HTR2A 2694/4885MAOA 3080/4885MAOB 2516/4885
US-20080085906-A1 3-Pyridinecarboxamide derivatives as HDL-cholesterol raising agents CETP, APOB, LDLR HTR2A 1528/4885MAOA 2799/4885MAOB 2875/4885
US-20040063691-A1 Preparation and use of imidazole derivatives for treatment of obesity GPR119, GIPR, PGC HTR2A 580/4885MAOA 456/4885MAOB 169/4885
US-20130197226-A1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF LEFT VENTRICULAR DIASTOLIC DYSFUNCTION COMPRISING AN APOLIPOPROTEIN PEPTIDE/PHOSPHOLIPID COMPLEX APOB, FABP3, PLTP HTR2A 2891/4885MAOA 3130/4885MAOB 2549/4885
US-20090143409-A1 3-PYRIDINECARBOXAMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS CETP, APOB, LDLR HTR2A 1528/4885MAOA 2799/4885MAOB 2875/4885

“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.