SCHEMBL4490580

SCHEMBL4490580

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.60
ACE P12821 2/20 0.48
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APEX1 P27695 1/20 0.46
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
SLC6A9 P48067 2/20 0.31

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
SCHEMBL4480343 1.00 DPP4 (0.60) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL4480365 1.00 DPP4 (0.60) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL4495195 1.00 DPP4 (0.60) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL6560264 1.00 DPP4 (0.60) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL6560280 1.00 DPP4 (0.60) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL6560281 1.00 DPP4 (0.60) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL10793019 0.88 ACE (0.51) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL7340816 0.88 ACE (0.51) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL10793023 0.88 ACE (0.51) DPP4ACEMAPTCYP3A4TSHR
SCHEMBL10915073 0.87 ACE (0.50) DPP4ACEMAPTCYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7517879-B2 Pyrrolidine derivatives as factor Xa inhibitors GLAXO GROUP LIMITED (GB) 2009-04-14 US disclosed
US-7326785-B2 Pyrrolidine derivatives as factor XA inhibitors GLAXO GROUP LIMITED (GB) 2008-02-05 US disclosed
EP-1839659-A2 Chemicals compounds GLAXO GROUP LIMITED (GB) 2007-10-03 EP disclosed
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-06-21 US disclosed
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS CHAN CHUEN 2007-06-21 US disclosed
US-7226929-B2 Pyrrolidin-2-one derivatives as inhibitors of factor xa SMITHKLINE BEECHAM CORPORATION (US) 2007-06-05 US disclosed
EP-1395606-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LTD (GB) 2007-05-02 EP disclosed
US-7186717-B2 Pyrrolidine derivatives as Factor Xa inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-03-06 US disclosed
US-7084139-B2 Pyrrolidin-2-one derivatives as inhibitors of factor Xa SMITHKLINE BEECHAM CORPORATION (US) 2006-08-01 US disclosed
US-20060160885-A1 drugs such as 6 -Chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide, used as antithrombotic agents GLAXO GROUP LIMITED (GB) 2006-07-20 US disclosed
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-05-19 US disclosed
EP-1395553-B1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LTD (GB) 2005-02-16 EP disclosed
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa GLAXO GROUP LIMITED (GB) 2004-08-05 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-20060160885-A1 drugs such as 6 -Chloro-N-{(3S)-1-[(1S)-1-methyl-2-oxo-2-piperidin-1-ylethyl]-2-oxopyrrolidin-3-yl}naphthalene-2-sulfonamide, used as antithrombotic agents SERPINC1, F11, TFPI DPP4 2567/4885ACE 407/4885MAPT 4836/4885
US-20050107379-A1 Pyrrolidine derivatives as factor xa inhibitors TFPI, F2, SERPINC1 DPP4 916/4885ACE 324/4885MAPT 4509/4885
US-20040152697-A1 Pyrrolidin-2-one derivatives as inhibitors of factor xa TFPI, SERPINC1, TFPI2 DPP4 1780/4885ACE 408/4885MAPT 4534/4885
US-20070142374-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 DPP4 916/4885ACE 324/4885MAPT 4509/4885
US-20070142375-A1 PYRROLIDINE DERIVATIVES AS FACTOR XA INHIBITORS TFPI, F2, SERPINC1 DPP4 916/4885ACE 324/4885MAPT 4509/4885

“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.