SCHEMBL3103157

SCHEMBL3103157

O=C(Nc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C(=O)O)cc2)cc1)Nc1cccc(Cl)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.66
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HSD11B1 P28845 1/20 0.46
CA2 P00918 1/20 0.45
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL3100586 1.00 DGAT1 (0.66) DGAT1MAPTMEN1KMT2ALMNA
SCHEMBL3100578 0.97 DGAT1 (0.62) DGAT1MAPTMEN1KMT2ALMNA
SCHEMBL3105683 0.89 DGAT1 (0.61) DGAT1MAPTKMT2AHPGDSMN1; SMN2
SCHEMBL3096284 0.86 DGAT1 (0.58) DGAT1MAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL3100601 0.84 DGAT1 (0.61) DGAT1MAPTMEN1KMT2AHSD11B1
SCHEMBL3092934 0.84 MAPT (0.62) DGAT1MAPTHSD11B1
SCHEMBL3103290 0.84 DGAT1 (0.56) DGAT1MAPTMEN1KMT2ALMNA
SCHEMBL3095851 0.84 DGAT1 (0.60) DGAT1MAPTMEN1KMT2AHPGD
SCHEMBL3092722 0.83 DGAT1 (0.64) DGAT1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3105657 0.82 DGAT1 (0.53) DGAT1MAPTMEN1KMT2AHPGD

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 2018/4885MAPT 3315/4885MEN1 4210/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885MAPT 3315/4885MEN1 4210/4885

“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.