SCHEMBL3083935

SCHEMBL3083935

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.48
PTPN1 P18031 4/20 0.46
MCHR1 Q99705 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
NPC1 O15118 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL3096847 0.92 KMT2A (0.49) MCHR1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3089070 0.89 TRPV1 (0.59) NR1H4SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3092704 0.88 NR1H4 (0.46) NR1H4PTPN1MCHR1SMN1; SMN2MEN1
SCHEMBL3088525 0.85 MAPT (0.51) PTPN1MCHR1SMN1; SMN2MEN1KMT2A
SCHEMBL3105614 0.85 PTPN1 (0.62) PTPN1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3103118 0.81 PTPN1 (0.49) PTPN1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3082282 0.81 NPC1 (0.50) PTPN1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3100469 0.81 GAA (0.55) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL3097134 0.80 KMT2A (0.47) MCHR1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3100467 0.80 MEN1 (0.53) SMN1; SMN2MEN1KMT2ARAB9ANPC1

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 9 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-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 NR1H4 63/4885PTPN1 2680/4885MCHR1 1140/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 NR1H4 63/4885PTPN1 2680/4885MCHR1 1140/4885

“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.