SCHEMBL3091001

SCHEMBL3091001

C[C@@H](C(=O)O)N(C)C(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.49
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 4/20 0.49
RAB9A P51151 3/20 0.49
MAPK1 P28482 3/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
PTPN1 P18031 1/20 0.49
RECQL P46063 1/20 0.46
CASP3 P42574 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
XBP1 P17861 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CSGALNACT1 Q8TDX6 1/20 0.43
EPHX2 P34913 1/20 0.42
CNR1 P21554 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3105614 0.91 PTPN1 (0.62) DGAT1MEN1KMT2AMAPTRAB9A
SCHEMBL3096247 0.89 SMN1; SMN2 (0.57) DGAT1MEN1KMT2AMAPTRAB9A
SCHEMBL3084132 0.87 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3100168 0.86 NPC1 (0.60) DGAT1MEN1KMT2AMAPTRAB9A
SCHEMBL3096847 0.85 KMT2A (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3103118 0.84 PTPN1 (0.49) DGAT1MEN1KMT2ARAB9ANPC1
SCHEMBL3095997 0.84 ALDH1A1 (0.50) DGAT1MEN1KMT2AMAPTRAB9A
SCHEMBL3088530 0.84 MEN1 (0.49) DGAT1MEN1KMT2AMAPTRAB9A
SCHEMBL3099424 0.83 EPHX1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL3099926 0.82 MAPT (0.52) MEN1KMT2AMAPTRAB9AMAPK1

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 2018/4885MEN1 4210/4885KMT2A 636/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885MEN1 4210/4885KMT2A 636/4885

“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.