SCHEMBL1761476

SCHEMBL1761476

COC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(N)cc2)cc1)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.59
TAS1R1 Q7RTX1 2/20 0.59
HPGDS O60760 1/20 0.50
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
BCL2L1 Q07817 1/20 0.44
LMNA P02545 1/20 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
SCHEMBL255181 0.90 TAS1R3 (0.48) TAS1R3TAS1R1HPGDSCA2CA1
SCHEMBL255440 0.90 TAS1R3 (0.48) TAS1R3TAS1R1HPGDSCA2CA1
SCHEMBL21525010 0.86 TAS1R3 (0.52) TAS1R3TAS1R1HPGDSMEN1CYP2C9
SCHEMBL21525011 0.86 TAS1R3 (0.52) TAS1R3TAS1R1HPGDSMEN1CYP2C9
SCHEMBL1761369 0.84 TAS1R3 (0.55) TAS1R3TAS1R1HPGDSMEN1CYP2C9
SCHEMBL26814843 0.83 TAS1R3 (0.64) TAS1R3TAS1R1MEN1CYP2C9CYP2C19
SCHEMBL26820886 0.81 TAS1R3 (0.70) TAS1R3TAS1R1MEN1CYP2C9CYP2C19
SCHEMBL19940235 0.81 TAS1R3 (0.48) TAS1R3TAS1R1HPGDSMEN1CYP2C19
SCHEMBL1761789 0.81 TAS1R3 (0.54) TAS1R3TAS1R1MEN1CYP2C9CYP2C19
SCHEMBL1761565 0.80 TAS1R3 (0.45) TAS1R3TAS1R1HPGDSNPC1MMP1

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 23 patents — showing the first 20. 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 disclosed
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
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
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-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US disclosed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US disclosed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US 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-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-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 US disclosed
EP-1805156-A4 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORP (US) 2009-06-10 EP disclosed
EP-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP 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
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
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
EP-1805156-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2007-07-11 EP disclosed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO disclosed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO disclosed
WO-2006044775-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 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 (4 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 TAS1R3 3643/4885TAS1R1 4275/4885HPGDS 2524/4885
US-20110118302-A1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, PGC TAS1R3 3643/4885TAS1R1 4275/4885HPGDS 2524/4885
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BCAT2, BCAT1, FABP4 TAS1R3 3249/4885TAS1R1 3717/4885HPGDS 2648/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 TAS1R3 3249/4885TAS1R1 3717/4885HPGDS 2648/4885

“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.