SCHEMBL2311673

SCHEMBL2311673

O=C(O)C1CCCC1C(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 1.00
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
TNF P01375 1/20 0.46
LMNA P02545 1/20 0.46
NR2F2 P24468 1/20 0.46
KMT2A Q03164 1/20 0.46
MCL1 Q07820 1/20 0.46
KLF5 Q13887 1/20 0.46
NOD1 Q9Y239 1/20 0.46
CSGALNACT1 Q8TDX6 1/20 0.46
HCRTR1 O43613 5/20 0.44
HCRTR2 O43614 2/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43

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
SCHEMBL29434870 1.00 DGAT1 (1.00) DGAT1SMN1; SMN2MAPTGAAHPGD
SCHEMBL2310982 1.00 DGAT1 (1.00) DGAT1SMN1; SMN2MAPTGAAHPGD
SCHEMBL1747916 1.00 DGAT1 (1.00) DGAT1SMN1; SMN2MAPTGAAHPGD
SCHEMBL12266172 0.93 DGAT1 (0.87) DGAT1HTTHCRTR1HCRTR2NPC1
SCHEMBL2308159 0.93 DGAT1 (0.87) DGAT1HTTHCRTR1HCRTR2NPC1
SCHEMBL2311689 0.91 DGAT1 (0.84) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2308631 0.91 DGAT1 (0.84) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2309085 0.91 DGAT1 (0.84) DGAT1MEN1KMT2AHCRTR1HCRTR2
SCHEMBL1748252 0.91 DGAT1 (0.84) DGAT1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2396211 0.90 DGAT1 (0.82) DGAT1NPC1RAB9AALDH1A1ABL1

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 7 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-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885SMN1; SMN2 3975/4885MAPT 4379/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC DGAT1 34/4885SMN1; SMN2 3975/4885MAPT 4379/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC DGAT1 34/4885SMN1; SMN2 3975/4885MAPT 4379/4885

“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.