SCHEMBL4869415

SCHEMBL4869415

C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](N)C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.51
MAPT P10636 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
APEX1 P27695 1/20 0.39
HRH3 Q9Y5N1 1/20 0.33
ELANE P08246 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL4871662 1.00 DPP4 (0.51) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL4866724 1.00 DPP4 (0.51) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL4867000 1.00 DPP4 (0.51) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL22156338 0.87 DPP4 (0.50) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL4480343 0.78 DPP4 (0.60) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL4495195 0.78 DPP4 (0.60) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL6560280 0.78 DPP4 (0.60) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL4480365 0.78 DPP4 (0.60) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL6560281 0.78 DPP4 (0.60) DPP4MAPTCYP3A4TSHRTDP1
SCHEMBL4490580 0.78 DPP4 (0.60) DPP4MAPTCYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429587-B2 Pyrrolidine derivatives as factor Xa inhibitors GLAXO GROUP LIMITED (GB) 2008-09-30 US disclosed
US-7282497-B2 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2007-10-16 US disclosed
US-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-07-05 US disclosed
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics GLAXO GROUP LIMITED (GB) 2006-07-20 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-20070155745-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 DPP4 916/4885MAPT 4509/4885CYP3A4 301/4885
US-20060160886-A1 Synergistic mixtures of 6-Chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide and 4-chloro-N-{1-[1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}-1-benzothiophene-2-sulfonamide; improved oral bioavailability and pharmacokinetics SULT1E1, SULT1A1, SULT2A1 DPP4 1737/4885MAPT 4244/4885CYP3A4 14/4885

“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.