SCHEMBL1761541

SCHEMBL1761541

O=C(NC1(C(=O)O)CCCC1)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.61
CSGALNACT1 Q8TDX6 1/20 0.61
MAPT P10636 6/20 0.52
NPC1 O15118 6/20 0.52
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LRRK2 Q5S007 3/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.48
TNF P01375 1/20 0.48
NR2F2 P24468 1/20 0.48
MCL1 Q07820 1/20 0.48
KLF5 Q13887 1/20 0.48
NOD1 Q9Y239 1/20 0.48
ADORA2A P29274 1/20 0.47

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
SCHEMBL1761484 0.99 DGAT1 (0.61) DGAT1CSGALNACT1MAPTNPC1RAB9A
SCHEMBL1761318 0.96 DGAT1 (0.64) DGAT1CSGALNACT1MAPTNPC1RAB9A
SCHEMBL1761433 0.89 DGAT1 (0.64) DGAT1CSGALNACT1MAPTNPC1RAB9A
SCHEMBL1761364 0.85 DGAT1 (0.63) DGAT1CSGALNACT1MAPTNPC1RAB9A
SCHEMBL2296550 0.85 DGAT1 (0.47) DGAT1CSGALNACT1MAPTNPC1RAB9A
SCHEMBL3128570 0.81 DGAT1 (0.69) DGAT1CSGALNACT1MAPTNPC1RAB9A
SCHEMBL2298785 0.81 SMN1; SMN2 (0.45) DGAT1CSGALNACT1MAPTNPC1RAB9A
Bicarbonate SCHEMBL3392042 0.80 DGAT1 (0.62) DGAT1CSGALNACT1MAPTNPC1RAB9A
Bicarbonate SCHEMBL3390988 0.80 DGAT1 (0.65) DGAT1CSGALNACT1MAPTNPC1RAB9A
SCHEMBL3387754 0.79 DGAT1 (0.66) DGAT1CSGALNACT1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US claimed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP claimed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US claimed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 US claimed
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2011-05-19 US disclosed
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP disclosed
US-7759376-B2 Preparation and use of biphenyl-4-yl-carbonylamino acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2010-07-20 US disclosed
US-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2007-11-15 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 (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-20070265298-A1 Preparation and Use of Biphenyl-4-Yl-Carbonylamino Acid Derivatives for the Treatment of Obesity FABP4, GPR119, PGC DGAT1 486/4885CSGALNACT1 3157/4885MAPT 3560/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC DGAT1 486/4885CSGALNACT1 3157/4885MAPT 3560/4885

“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.