SCHEMBL3100423

SCHEMBL3100423

Cc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc3)cc2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
DGAT1 O75907 10/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
KMT2A Q03164 1/20 0.54
CSGALNACT1 Q8TDX6 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MMP2 P08253 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
SCHEMBL3105594 1.00 TAS1R3 (0.57) TAS1R3TAS1R1DGAT1NPC1RAB9A
SCHEMBL3095905 0.90 DGAT1 (0.55) TAS1R3TAS1R1DGAT1CSGALNACT1
SCHEMBL3103179 0.90 DGAT1 (0.55) TAS1R3TAS1R1DGAT1CSGALNACT1
SCHEMBL3103324 0.89 DGAT1 (0.69) TAS1R3TAS1R1DGAT1NPC1RAB9A
SCHEMBL3103336 0.89 DGAT1 (0.69) TAS1R3TAS1R1DGAT1NPC1RAB9A
SCHEMBL25387992 0.87 TAS1R3 (0.73) TAS1R3TAS1R1DGAT1KMT2ACSGALNACT1
SCHEMBL31169556 0.87 TAS1R3 (0.73) TAS1R3TAS1R1DGAT1KMT2ACSGALNACT1
SCHEMBL31611773 0.87 TAS1R3 (0.73) TAS1R3TAS1R1DGAT1KMT2ACSGALNACT1
SCHEMBL3105716 0.84 CA1 (0.56) DGAT1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3084080 0.84 DGAT1 (0.57) DGAT1NPC1RAB9ACSGALNACT1CA2

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-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 US claimed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 US claimed
EP-1912634-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Healthcare, LLC (US) 2008-04-23 EP claimed
WO-2007016538-A2 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2007-02-08 WO claimed
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-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 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
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

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-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BCAT2, BCAT1, FABP4 TAS1R3 3249/4885TAS1R1 3717/4885DGAT1 2018/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 TAS1R3 3249/4885TAS1R1 3717/4885DGAT1 2018/4885

“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.