SCHEMBL4618573

SCHEMBL4618573

CC(=O)OCc1nc(N)cc(C)c1CN

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELANE P08246 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CA2 P00918 1/20 0.33
KLKB1 P03952 8/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL4618728 0.81 NPC1 (0.45) KMT2AALDH1A1KLKB1HPGDSMN1; SMN2
SCHEMBL4617296 0.76 LMNA (0.39) KDM4EALDH1A1KLKB1
SCHEMBL30000766 0.68 NOS3 (0.41) KLKB1
SCHEMBL7337621 0.68 NOS3 (0.41) KLKB1
SCHEMBL14385061 0.68 NOS3 (0.39) MAPT
SCHEMBL6589797 0.67 MEN1 (0.52) KDM4EHSD17B10MEN1KMT2AALDH1A1
SCHEMBL6669414 0.67 MEN1 (0.44) KDM4EHSD17B10MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7823971 0.67 NOS3 (0.41) KLKB1
Hydrochloric Acid SCHEMBL17442571 0.67 NOS3 (0.41) KLKB1
SCHEMBL17221283 0.66 NOS3 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207695-A1 Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives ASTRAZENECA AB (SE) 2008-08-28 US disclosed
EP-1893601-A1 THROMBIN INHIBITING 2-OXO-1, 2, 5, 6-TETRAHYDROPYRIDINE DERIVATIVES AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006135323-A1 THROMBIN INHIBITING 2-OXO-1, 2, 5, 6-TETRAHYDROPYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2006-12-21 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-20080207695-A1 Thrombin Inhibiting 2-Oxo-1,2,5,6-Tetrahydropyridine Derivatives F2R, F2, SERPINE1 KDM4E 3432/4885HSD17B10 1863/4885MEN1 1693/4885

“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.