SCHEMBL4702377

SCHEMBL4702377

O=C(O)N[C@H]1CCN([C@H](C(=O)N2CCOCC2)c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
F10 P00742 10/20 0.43
F2 P00734 2/20 0.42
KLKB1 P03952 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.40

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
SCHEMBL4703202 0.89 ALDH1A1 (0.43) ALDH1A1CYP3A4CYP2C19F10F2
SCHEMBL4702318 0.84 F10 (0.41) ALDH1A1F10F2KLKB1
Hydrochloric Acid SCHEMBL4705964 0.81 ALDH1A1 (0.61) ALDH1A1CYP3A4CYP2C19KMT2AMEN1
SCHEMBL4706167 0.81 KDM1A (0.51) CYP3A4CYP2C19F10KMT2AMEN1
SCHEMBL4495030 0.80 F10 (0.57) F10F2KLKB1
SCHEMBL4702811 0.78 ALDH1A1 (0.48) ALDH1A1F10F2KLKB1
SCHEMBL4704214 0.78 F10 (0.41) F10F2KLKB1
SCHEMBL4702122 0.77 F10 (0.41) F10F2KLKB1
SCHEMBL4705534 0.77 F10 (0.43) ALDH1A1CYP3A4CYP2C19F10F2
SCHEMBL4705662 0.76 F10 (0.40) F10F2KLKB1

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 ALDH1A1 3827/4885CYP3A4 683/4885CYP2C19 305/4885

“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.