SCHEMBL195485

SCHEMBL195485

O=C(O)C1CCCCC1C(=O)c1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.51
GRK2 P25098 1/20 0.47
CASP6 P55212 1/20 0.47
CASP8 Q14790 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SRD5A2 P31213 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL3634723 1.00 DGAT1 (0.51) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL1748823 1.00 DGAT1 (0.51) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL594720 1.00 DGAT1 (0.51) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL1748822 1.00 DGAT1 (0.51) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL180513 1.00 DGAT1 (0.51) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL596331 0.96 DGAT1 (0.55) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL596330 0.96 DGAT1 (0.55) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL1748197 0.96 DGAT1 (0.55) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL596332 0.96 DGAT1 (0.55) DGAT1GRK2CASP6CASP8CTDSP1
SCHEMBL1748184 0.93 DGAT1 (0.47) DGAT1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317767-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2024-09-26 US disclosed
US-20230219967-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2023-07-13 US disclosed
EP-3292105-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS AstraZeneca AB (SE) 2018-03-14 EP disclosed
WO-2016177703-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ASTRAZENECA AB (SE) 2016-11-10 WO disclosed
US-8153644-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8115011-B2 (S)-3-{5-[(1-Pyridin-2-yl-3-trifluoromethyl-1H-pyrazole-4-carbonyl)-amino]-pyridin-2-ylamino}-pyrrolidine-1-carboxylic acid ethyl ester; obesity, type II diabetes mellitus and metabolic syndrome MADRIGAL PHARMACEUTICALS, INC. (US) 2012-02-14 US disclosed
EP-2402317-A1 DGAT inhibitor Novartis AG (CH) 2012-01-04 EP disclosed
US-8058299-B2 Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20080015227-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme ABBOTT LABORATORIES 2008-01-17 US disclosed
WO-2007137103-A2 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2007-11-29 WO disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 US disclosed
EP-1633722-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2006-03-15 EP disclosed
WO-2004100881-A2 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2004-11-25 WO disclosed
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 US disclosed
EP-1237849-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2002-09-11 EP disclosed
WO-2001032604-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2001-05-10 WO 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885GRK2 666/4885CASP6 788/4885
US-20080015227-A1 Inhibitors of diacylglycerol O-acyltransferase type 1 enzyme DGAT1, DGAT2, LCAT DGAT1 1/4885GRK2 1082/4885CASP6 4466/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885GRK2 666/4885CASP6 788/4885
US-20230219967-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 DGAT1 792/4885GRK2 1538/4885CASP6 1150/4885
US-20240317767-A1 PYRAZOLE DERIVATIVES USEFUL AS 5-LIPOXYGENASE ACTIVATING PROTEIN (FLAP) INHIBITORS ALOX5, LIPG, ALOX15 DGAT1 792/4885GRK2 1538/4885CASP6 1150/4885

“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.