SCHEMBL3094752

SCHEMBL3094752

O=C(Nc1ccc(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)O)cc2)cc1)Nc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 14/20 0.56
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 1/20 0.50
PIK3CA P42336 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL3108692 0.97 DGAT1 (0.59) DGAT1THRBALOX12KMT2APIK3CA
SCHEMBL3121161 0.97 DGAT1 (0.59) DGAT1THRBALOX12KMT2APIK3CA
SCHEMBL3100723 0.89 DGAT1 (0.59) DGAT1THRBALOX12KMT2A
SCHEMBL3094423 0.83 DGAT1 (0.50) DGAT1
SCHEMBL3105726 0.83 MAPT (0.64) DGAT1RAB9AMAPT
SCHEMBL3100016 0.81 DGAT1 (0.60) DGAT1NPC1RAB9A
SCHEMBL3103131 0.81 DGAT1 (0.54) DGAT1NPC1RAB9AMAPT
SCHEMBL3105604 0.81 DGAT1 (0.58) DGAT1KMT2AMAPT
SCHEMBL3100494 0.80 DGAT1 (0.53) DGAT1NPC1RAB9A
SCHEMBL3092185 0.80 DGAT1 (0.56) DGAT1KMT2ANPC1LMNAMAPT

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-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
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 2018/4885THRB 377/4885ALOX12 1611/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885THRB 377/4885ALOX12 1611/4885

“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.