SCHEMBL3084129

SCHEMBL3084129

CCCCc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)OC(=O)[C@H]4CCCN4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ SPHK1 Q9NYA1 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 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
▸ RARB P10826 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40

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
SCHEMBL3088891 0.83 CA12 (0.51) NPC1RAB9AHPGDTP53SMN1; SMN2
SCHEMBL3103404 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2EPHX2MEN1
SCHEMBL3094868 0.80 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2EPHX1EPHX2
SCHEMBL3092727 0.80 HTR2C (0.46) RAB9AMEN1KMT2ACASP3SENP7
SCHEMBL3095860 0.79 EPHX1 (0.45) NPC1RAB9AEPHX1EPHX2MEN1
SCHEMBL3105688 0.78 DGAT1 (0.40) NPC1HPGDSMN1; SMN2EPHX2MEN1
SCHEMBL3103296 0.78 MAPT (0.46) NPC1RAB9AHPGDSMN1; SMN2MEN1
SCHEMBL3094429 0.78 MAPT (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3096299 0.78 RAB9A (0.52) NPC1RAB9AHPGDSMN1; SMN2CA12
SCHEMBL3094855 0.78 MAPT (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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 1741/4885HPGD 3194/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 NPC1 2959/4885RAB9A 1741/4885HPGD 3194/4885

“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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