SCHEMBL4706069

SCHEMBL4706069

O=C(O)N[C@H]1CCN([C@@H](Cc2ccncc2)C(=O)N2CCOCC2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
F10 P00742 14/20 0.42
MMP8 P22894 1/20 0.40
F2 P00734 2/20 0.39
KLKB1 P03952 2/20 0.39
POLB P06746 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL4706167 0.91 KDM1A (0.51) KDM1AF10MMP8POLBTSHR
SCHEMBL4704111 0.89 ALDH1A1 (0.42) KDM1AF10MMP8CHRM1
SCHEMBL4705330 0.88 MMP8 (0.43) KDM1AF10MMP8F2KLKB1
SCHEMBL4705662 0.83 F10 (0.40) KDM1AF10MMP8F2KLKB1
Hydrochloric Acid SCHEMBL4704420 0.82 KDM1A (0.40) KDM1AF10MMP8POLBCHRM1
SCHEMBL4705534 0.81 F10 (0.43) F10F2KLKB1POLB
SCHEMBL4702122 0.81 F10 (0.41) F10F2KLKB1POLB
SCHEMBL4702773 0.80 REN (0.40) F10F2KLKB1
SCHEMBL4706596 0.79 F10 (0.39) F10F2KLKB1POLB
SCHEMBL4706056 0.79 F10 (0.39) F10F2KLKB1POLB

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 KDM1A 2422/4885F10 8/4885MMP8 141/4885

“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.