SCHEMBL4704091

SCHEMBL4704091

COCC[C@@H](C(=O)N1CCOCC1)N1CC[C@H](N)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 6/20 0.35
GAA P10253 2/20 0.34
F2 P00734 1/20 0.34
KLKB1 P03952 1/20 0.34
KMT2A Q03164 1/20 0.33

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
Hydrochloric Acid SCHEMBL4704189 0.91 DPP4 (0.40) DPP4ALDH1A1HTTPOLBCYP3A4
SCHEMBL4702304 0.85 DPP4 (0.43) DPP4ALDH1A1POLBCYP3A4CYP2C19
SCHEMBL6227656 0.85 DPP4 (0.43) DPP4ALDH1A1POLBCYP3A4CYP2C19
SCHEMBL6227658 0.85 DPP4 (0.43) DPP4ALDH1A1POLBCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL4758744 0.82 DPP4 (0.39) DPP4ALDH1A1POLBF10GAA
SCHEMBL4706597 0.82 DPP4 (0.42) DPP4ALDH1A1POLBCYP3A4CYP2C19
Hydrochloric Acid SCHEMBL5936109 0.82 DPP4 (0.38) DPP4ALDH1A1POLBCYP3A4F10
SCHEMBL4706177 0.82 F10 (0.40) ALDH1A1POLBF10F2KLKB1
Hydrochloric Acid SCHEMBL4704064 0.81 DPP4 (0.39) DPP4POLBSMN1; SMN2F10F2
Hydrochloric Acid SCHEMBL4705563 0.81 ALDH1A1 (0.40) DPP4ALDH1A1HTTPOLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 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 (1 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-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 DPP4 383/4885ALDH1A1 3827/4885HTT 1513/4885

“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.