SCHEMBL3100494

SCHEMBL3100494

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N4CCCC[C@H]4C(=O)O)cc3)cc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 11/20 0.53
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3103397 0.97 DGAT1 (0.57) DGAT1L3MBTL1RAB9ANPSR1ALDH1A1
SCHEMBL3103131 0.88 DGAT1 (0.54) DGAT1TDP1L3MBTL1NPC1RAB9A
SCHEMBL3092210 0.87 DGAT1 (0.55) DGAT1TDP1L3MBTL1NPSR1GAA
SCHEMBL3094423 0.86 DGAT1 (0.50) DGAT1TDP1L3MBTL1GAAALDH1A1
SCHEMBL3092185 0.85 DGAT1 (0.56) DGAT1TDP1L3MBTL1NPC1ALDH1A1
SCHEMBL3100016 0.84 DGAT1 (0.60) DGAT1TDP1L3MBTL1NPC1RAB9A
SCHEMBL3105657 0.84 DGAT1 (0.53) DGAT1TDP1L3MBTL1ALDH1A1
SCHEMBL3094864 0.83 DGAT1 (0.58) DGAT1L3MBTL1NPSR1ALDH1A1
SCHEMBL3094852 0.83 DGAT1 (0.53) DGAT1ALDH1A1
SCHEMBL3094425 0.83 DGAT1 (0.53) DGAT1ALDH1A1

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 DGAT1 2018/4885TDP1 4420/4885L3MBTL1 1518/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885TDP1 4420/4885L3MBTL1 1518/4885

“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.