SCHEMBL5476014

SCHEMBL5476014

CC(=O)OCCn1c(Cl)cnc(NCCC2CCCCN2C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRM3 P20309 7/20 0.36
AVPR1B P47901 1/20 0.36
F2 P00734 2/20 0.35
ALDH1A1 P00352 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TERT O14746 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
CAMK2D Q13557 1/20 0.34

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
SCHEMBL5478507 0.89 LTA4H (0.38) F2ALDH1A1IRAK4
SCHEMBL5479136 0.86 CAMK2D (0.37) F2TERTCAMK2D
SCHEMBL5474631 0.83 F2 (0.52) F2ALDH1A1IRAK4
SCHEMBL5479364 0.77 CHEK2 (0.39) F2IRAK4
SCHEMBL5483612 0.75 ATM (0.39) ALDH1A1IRAK4
SCHEMBL8294709 0.75 CHEK2 (0.36) ALDH1A1IRAK4
SCHEMBL5475444 0.74 F2 (0.35) F2ALDH1A1IRAK4TERT
SCHEMBL5475153 0.74 F2 (0.36) F2ALDH1A1IRAK4TERT
SCHEMBL5477413 0.72 F2 (0.53) F2
SCHEMBL5479610 0.72 F2 (0.57) F2ALDH1A1IRAK4

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 CHRNB2 4448/4885CHRNA7 4134/4885CHRNA4 4023/4885

“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.