SCHEMBL5479118

SCHEMBL5479118

Cc1cnc(NCCN2CCOCC2)c(=O)n1CCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.45
LMNA P02545 6/20 0.45
CYP1A2 P05177 5/20 0.45
CYP2D6 P10635 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HIF1A Q16665 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
TLR9 Q9NR96 2/20 0.44
CYP2C19 P33261 3/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL7459174 0.86 LMNA (0.48) CYP3A4LMNACYP1A2CYP2D6HSD17B10
SCHEMBL5483623 0.84 F2 (0.35) KCNH2
SCHEMBL5478498 0.83 TLR9 (0.48) LMNAHSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL8293952 0.77 SMN1; SMN2 (0.51) CYP3A4LMNACYP1A2CYP2D6TDP1
SCHEMBL8294499 0.76 SMN1; SMN2 (0.49) CYP3A4LMNACYP1A2CYP2D6HSD17B10
SCHEMBL5475166 0.74 KAT2B (0.44) HSD17B10MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3274939 0.72 CYP2C19 (0.41) CYP3A4CYP1A2HSD17B10MEN1KMT2A
SCHEMBL5479608 0.72 F2 (0.48)
SCHEMBL5477450 0.70 F2 (0.39) CNR1PDE5A
SCHEMBL5483436 0.70 F2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 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-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 CYP3A4 101/4885LMNA 1027/4885CYP1A2 105/4885

“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.