SCHEMBL3099892

SCHEMBL3099892

Cc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)N(C)C(C)(C)C(=O)O)cc3)cc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
KCNQ3 O43525 1/20 0.45
KCNQ2 O43526 1/20 0.45
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
DGAT1 O75907 1/20 0.43
PTPN1 P18031 1/20 0.43
THRB P10828 1/20 0.42
FKBP5 Q13451 1/20 0.42
MEN1 O00255 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
SCHEMBL3100715 0.90 PTPN1 (0.43) NPC1RAB9AKMT2AMAPTKCNQ3
SCHEMBL3096423 0.90 KCNQ3 (0.48) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL3103305 0.86 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3096270 0.85 SLC2A1 (0.49) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL3099910 0.83 PTPN1 (0.49) NPC1RAB9ASMN1; SMN2DGAT1PTPN1
SCHEMBL3094728 0.83 PTPN1 (0.62) NPC1RAB9AKMT2AMAPTTDP1
SCHEMBL3095746 0.83 NPC1 (0.57) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL3095916 0.82 HPGD (0.55) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL22580585 0.82 NPC1 (0.66) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL22580645 0.82 NPC1 (0.66) NPC1RAB9AKMT2AMAPTSMN1; SMN2

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-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

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 NPC1 2959/4885RAB9A 1741/4885KMT2A 636/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 NPC1 2959/4885RAB9A 1741/4885KMT2A 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.