SCHEMBL4758007

SCHEMBL4758007

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
TSHR P16473 2/20 0.41
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 2/20 0.39
ANPEP P15144 1/20 0.39
CASR P41180 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL4758016 1.00 CYP3A4 (0.47) CYP3A4CYP2C19GAATDP1TSHR
SCHEMBL15123871 0.87 CYP3A4 (0.45) CYP3A4CYP2C19GAATDP1TSHR
SCHEMBL15123868 0.87 CYP3A4 (0.45) CYP3A4CYP2C19GAATDP1TSHR
SCHEMBL15075929 0.82 KDM4E (0.43) TDP1
Hydrochloric Acid SCHEMBL7869080 0.80 TSHR (0.47) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL6824021 0.80 DPP7 (0.56) CYP3A4CYP2C19TSHRL3MBTL1CASR
SCHEMBL16133067 0.78 DPP7 (0.35)
SCHEMBL7355494 0.78 CYP3A4 (0.50) CYP3A4CYP2C19GAATSHRKMT2A
SCHEMBL15124202 0.78 CYP3A4 (0.49) CYP3A4CYP2C19GAATSHRALDH1A1
SCHEMBL10076132 0.78 CYP3A4 (0.49) CYP3A4CYP2C19GAATSHRALDH1A1

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 6 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
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
EP-1567489-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 WO disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 WO 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 CYP3A4 683/4885CYP2C19 305/4885GAA 1636/4885

“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.