SCHEMBL3087393

SCHEMBL3087393

CCc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
CSGALNACT1 Q8TDX6 5/20 0.52
FPR2 P25090 1/20 0.50

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
SCHEMBL3099766 1.00 DGAT1 (0.61) DGAT1MEN1KMT2AATMGAA
SCHEMBL3218942 0.94 NPSR1 (0.54) DGAT1MEN1KMT2AATMGAA
SCHEMBL3098626 0.89 GAA (0.74) DGAT1GAANPSR1CSGALNACT1
SCHEMBL3099786 0.89 GAA (0.74) DGAT1GAANPSR1CSGALNACT1
SCHEMBL16285365 0.87 NPSR1 (0.67) MEN1KMT2AATMGAANPSR1
SCHEMBL3094818 0.85 DGAT1 (0.64) DGAT1MEN1KMT2ACSGALNACT1FPR2
SCHEMBL3098978 0.85 DGAT1 (0.64) DGAT1MEN1KMT2ACSGALNACT1FPR2
SCHEMBL3099772 0.85 DGAT1 (0.80) DGAT1CSGALNACT1
SCHEMBL3100460 0.85 DGAT1 (0.80) DGAT1CSGALNACT1
SCHEMBL3082191 0.85 NPSR1 (0.77) DGAT1GAANPSR1CSGALNACT1

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 6 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
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

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 DGAT1 2018/4885MEN1 4210/4885KMT2A 636/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885MEN1 4210/4885KMT2A 636/4885

“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.