SCHEMBL3117484

SCHEMBL3117484

C[C@@H](C(=O)O)N(C)C(=O)c1ccc(-c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.47
KCNQ2 O43526 6/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PTPN1 P18031 2/20 0.45
KCNE1 P15382 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNQ5 Q9NR82 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
IDO1 P14902 1/20 0.42
HTR2B P41595 1/20 0.42
MCHR1 Q99705 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL3087355 0.91 PTPN1 (0.43) KCNQ3KCNQ2RAB9ANPC1PTPN1
SCHEMBL3103118 0.87 PTPN1 (0.49) RAB9ANPC1PTPN1
SCHEMBL3105614 0.87 PTPN1 (0.62) RAB9ANPC1PTPN1
SCHEMBL3082282 0.85 NPC1 (0.50) KCNQ3KCNQ2RAB9ANPC1PTPN1
SCHEMBL3088525 0.84 MAPT (0.51) RAB9ANPC1PTPN1MCHR1
SCHEMBL3100467 0.84 MEN1 (0.53) KCNQ3KCNQ2RAB9ANPC1KCNE1
SCHEMBL3091001 0.81 DGAT1 (0.49) RAB9ANPC1PTPN1LMNACASP3
SCHEMBL3105900 0.80 PTPN1 (0.41) KCNQ3KCNQ2RAB9ANPC1PTPN1
SCHEMBL3083935 0.80 NR1H4 (0.48) RAB9ANPC1PTPN1MCHR1
SCHEMBL3084132 0.78 MEN1 (0.51) RAB9ANPC1

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
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

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 KCNQ3 3626/4885KCNQ2 3795/4885RAB9A 1741/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 KCNQ3 3626/4885KCNQ2 3795/4885RAB9A 1741/4885

“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.