SCHEMBL3105688

SCHEMBL3105688

O=C(Nc1ccc(-c2ccc(C(=O)OC(=O)[C@H]3CCCN3)cc2)cc1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SCN3A Q9NY46 2/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PYGL P06737 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL3103168 0.89 MEN1 (0.46) DGAT1MEN1LMNAKMT2ANPSR1
SCHEMBL3100594 0.89 MEN1 (0.46) DGAT1MEN1LMNAKMT2ANPSR1
SCHEMBL3094868 0.88 ALDH1A1 (0.41) DGAT1KMT2ASCN3ASCN9AALDH1A1
SCHEMBL3095860 0.87 EPHX1 (0.45) DGAT1MEN1LMNAKMT2AMAPT
SCHEMBL3092727 0.86 HTR2C (0.46) DGAT1MEN1KMT2ANPSR1HRH3
SCHEMBL3100609 0.83 MEN1 (0.44) DGAT1MEN1KMT2AMAPTHTR2C
SCHEMBL3092947 0.83 JAK3 (0.52) DGAT1MEN1LMNAKMT2ANPSR1
SCHEMBL3103296 0.82 MAPT (0.46) MEN1KMT2AHRH3ALDH1A1SMN1; SMN2
SCHEMBL3103404 0.81 NPC1 (0.44) MEN1KMT2ASCN3ASCN9AALDH1A1
SCHEMBL3096299 0.80 RAB9A (0.52) DGAT1MEN1KMT2ANPSR1ALDH1A1

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 DGAT1 2018/4885MEN1 4210/4885LMNA 1973/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 DGAT1 2018/4885MEN1 4210/4885LMNA 1973/4885

“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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