SCHEMBL3095860

SCHEMBL3095860

O=C(Nc1ccc(-c2ccc(C(=O)OC(=O)[C@H]3CCCN3)cc2)cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 2/20 0.45
▸ EPHX2 P34913 2/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ PDE4A P27815 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44
▸ MAPT P10636 4/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDR P35968 1/20 0.43

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
SCHEMBL3092727 0.89 HTR2C (0.46) MEN1KMT2AMAPTRAB9ACASP3
SCHEMBL3100609 0.88 MEN1 (0.44) MEN1KMT2AMAPTKDM4EPOLB
SCHEMBL3105688 0.87 DGAT1 (0.40) EPHX2MEN1KMT2ANPC1LMNA
SCHEMBL3092947 0.86 JAK3 (0.52) MEN1KMT2ANPC1LMNAHTT
SCHEMBL3103404 0.86 NPC1 (0.44) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL3103168 0.84 MEN1 (0.46) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL3100594 0.84 MEN1 (0.46) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL3097193 0.82 CA2 (0.43) EPHX1EPHX2MEN1KMT2ANPC1
SCHEMBL3094868 0.81 ALDH1A1 (0.41) EPHX1EPHX2KMT2ANPC1MAPT
SCHEMBL3094855 0.81 MAPT (0.41) MEN1KMT2ANPC1LMNAMAPT

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 EPHX1 1398/4885EPHX2 1713/4885MEN1 4210/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 EPHX1 1398/4885EPHX2 1713/4885MEN1 4210/4885

“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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