SCHEMBL4451068

SCHEMBL4451068

N[C@@H](O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.52
F2 P00734 1/20 0.52
LMNA P02545 3/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2C P18825 1/20 0.52
HIF1A Q16665 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.44
AOC3 Q16853 4/20 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
SCHEMBL453395 1.00 DPP4 (0.52) DPP4F2LMNAADRA2AADRA2C
SCHEMBL29001563 1.00 DPP4 (0.52) DPP4F2LMNAADRA2AADRA2C
SCHEMBL29001566 0.87 EPHX1 (0.43) DPP4F2LMNAADRA2AADRA2C
SCHEMBL29001569 0.87 LMNA (0.49) DPP4F2LMNAADRA2AADRA2C
SCHEMBL29001567 0.87 IDO1 (0.52) DPP4LMNAADRA2AADRA2CHIF1A
SCHEMBL7047936 0.78 KDM4E (0.65) DPP4F2LMNAADRA2AADRA2C
SCHEMBL19329295 0.78 DPP4 (0.68) DPP4F2LMNAADRA2AADRA2C
SCHEMBL6745618 0.77 DPP4 (0.58) DPP4F2LMNAADRA2AADRA2C
SCHEMBL13208856 0.77
SCHEMBL4348933 0.77 LMNA (0.48) DPP4F2LMNAADRA2AADRA2C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114836486-B Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2023-05-12 CN disclosed
CN-114836486-A Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2022-08-02 CN disclosed
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PFIZER, INC. 2009-02-05 US disclosed
US-7388023-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2008-06-17 US disclosed
US-20070191350-A1 Combinations comprising alpha-2-delta ligands PIFIZER INC. (US) 2007-08-16 US disclosed
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN WANER-LAMBERT COMPANY LLC (US) 2007-06-07 US disclosed
US-7179934-B2 Amino acids with affinity for the α2δ-protein WARNER-LAMBERT COMPANY LLC (US) 2007-02-20 US disclosed
US-20050124668-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-06-09 US disclosed
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein WARNER-LAMBERT COMPANY LLC 2005-05-12 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 (5 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-20050124668-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, SCN1A, OPRD1 DPP4 2680/4885F2 2661/4885LMNA 2822/4885
US-20070129550-A1 AMINO ACIDS WITH AFFINITY FOR THE ALPHA-2-DELTA-PROTEIN SCN2A, OPRD1, SCN1A DPP4 3263/4885F2 2280/4885LMNA 2247/4885
US-20050101643-A1 Amino acids with affinity for the alpha2delta-protein SCN2A, OPRD1, SCN1A DPP4 2672/4885F2 2246/4885LMNA 2797/4885
US-20070191350-A1 Combinations comprising alpha-2-delta ligands OPRD1, CHRND, OPRL1 DPP4 1262/4885F2 3015/4885LMNA 3586/4885
US-20090036495-A1 Combinations Comprising Alpha-2-Delta Ligands and Ep4 Receptor Antagonists PTGER4, PTGER2, OPRL1 DPP4 583/4885F2 2002/4885LMNA 3019/4885

“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.