SCHEMBL1748018

SCHEMBL1748018

COC(=O)C1CCCC1C(=O)c1ccc(-c2ccc(Nc3nc4cc(F)ccc4s3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.56
HCRTR1 O43613 6/20 0.47
CSGALNACT1 Q8TDX6 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
TNF P01375 1/20 0.45
LMNA P02545 1/20 0.45
NR2F2 P24468 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.45
KLF5 Q13887 1/20 0.45
NOD1 Q9Y239 1/20 0.45
DYRK1A Q13627 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40

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
SCHEMBL1748329 1.00 DGAT1 (0.56) DGAT1HCRTR1CSGALNACT1SMN1; SMN2GAA
SCHEMBL1748019 1.00 DGAT1 (0.56) DGAT1HCRTR1CSGALNACT1SMN1; SMN2GAA
SCHEMBL1748020 0.90 DGAT1 (0.69) DGAT1HCRTR1CSGALNACT1DYRK1A
SCHEMBL12266127 0.90 DGAT1 (0.69) DGAT1HCRTR1CSGALNACT1DYRK1A
SCHEMBL1748021 0.90 DGAT1 (0.69) DGAT1HCRTR1CSGALNACT1DYRK1A
SCHEMBL1748022 0.90 DGAT1 (0.69) DGAT1HCRTR1CSGALNACT1DYRK1A
SCHEMBL6837144 0.88 HCRTR1 (0.46) DGAT1HCRTR1SMN1; SMN2MAPTDYRK1A
SCHEMBL12430208 0.86 DGAT1 (0.53) DGAT1HCRTR1CSGALNACT1SMN1; SMN2GAA
SCHEMBL12430212 0.82 DGAT1 (0.80) DGAT1HCRTR1CSGALNACT1SMN1; SMN2GAA
SCHEMBL2307331 0.82 DGAT1 (0.80) DGAT1HCRTR1CSGALNACT1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US 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-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
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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 (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 34/4885HCRTR1 687/4885CSGALNACT1 1245/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885HCRTR1 687/4885CSGALNACT1 1245/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885HCRTR1 687/4885CSGALNACT1 1245/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885HCRTR1 687/4885CSGALNACT1 1245/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885HCRTR1 687/4885CSGALNACT1 1245/4885

“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.