SCHEMBL3225976

SCHEMBL3225976

O=C(Nc1ccc(-c2ccc(C(=O)OC(=O)[C@H]3CCCN3)cc2)cc1)Nc1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.56
▸ RAB9A P51151 6/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ PIK3CA P42336 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ DGAT1 O75907 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL3226478 1.00 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3100729 0.93 MAPT (0.46) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3084068 0.83 CA12 (0.52) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3083903 0.83 MEN1 (0.39) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3092947 0.83 JAK3 (0.52) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3094855 0.83 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3094429 0.83 MAPT (0.41) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL3092727 0.81 HTR2C (0.46) RAB9AMAPTDGAT1HRH3MEN1
SCHEMBL3100609 0.81 MEN1 (0.44) MAPTDGAT1CA12CA1CA2
SCHEMBL3096299 0.81 RAB9A (0.52) NPC1RAB9ASMN1; SMN2MAPTDGAT1

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 3 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

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 1741/4885SMN1; SMN2 4427/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 NPC1 2959/4885RAB9A 1741/4885SMN1; SMN2 4427/4885

“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.

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