SCHEMBL3105683

SCHEMBL3105683

O=C(Nc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)O)cc2)cc1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 13/20 0.61
HSD11B1 P28845 1/20 0.48
CA2 P00918 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.46
ALOX12 P18054 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3096284 0.97 DGAT1 (0.58) DGAT1HSD11B1CA2ALDH1A1MAPT
SCHEMBL3103157 0.89 DGAT1 (0.66) DGAT1HSD11B1CA2ALDH1A1MAPT
SCHEMBL3100586 0.89 DGAT1 (0.66) DGAT1HSD11B1CA2ALDH1A1MAPT
SCHEMBL3094864 0.88 DGAT1 (0.58) DGAT1CA2ALDH1A1L3MBTL1
SCHEMBL3095851 0.86 DGAT1 (0.60) DGAT1CA2ALDH1A1MAPTHPGD
SCHEMBL3100578 0.86 DGAT1 (0.62) DGAT1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3092722 0.85 DGAT1 (0.64) DGAT1HSD11B1CA2ALDH1A1THRB
SCHEMBL3092210 0.84 DGAT1 (0.55) DGAT1ALDH1A1TDP1L3MBTL1
SCHEMBL3092185 0.83 DGAT1 (0.56) DGAT1HSD11B1ALDH1A1MAPTHPGD
SCHEMBL3092934 0.83 MAPT (0.62) DGAT1HSD11B1MAPT

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 2018/4885HSD11B1 1815/4885CA2 3885/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885HSD11B1 1815/4885CA2 3885/4885

“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.