SCHEMBL1375418

SCHEMBL1375418

COc1ccc2ncc(=O)n(CC(N)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.74
KCNQ1 P51787 1/20 0.74
CACNA1C Q13936 1/20 0.74

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
SCHEMBL1374732 1.00 KCNH2 (0.74) KCNH2KCNQ1CACNA1C
SCHEMBL1375472 1.00 KCNH2 (0.74) KCNH2KCNQ1CACNA1C
SCHEMBL1374736 1.00 KCNH2 (0.74) KCNH2KCNQ1CACNA1C
SCHEMBL1375424 1.00 KCNH2 (0.74) KCNH2KCNQ1CACNA1C
SCHEMBL1375415 0.95 KCNH2 (0.67) KCNH2KCNQ1CACNA1C
SCHEMBL1375413 0.95 KCNH2 (0.67) KCNH2KCNQ1CACNA1C
SCHEMBL1375976 0.95 KCNH2 (0.67) KCNH2KCNQ1CACNA1C
SCHEMBL1375971 0.95 KCNH2 (0.67) KCNH2KCNQ1CACNA1C
SCHEMBL1606428 0.91 KCNH2 (0.62) KCNH2KCNQ1CACNA1C
SCHEMBL1606427 0.91 KCNH2 (0.62) KCNH2KCNQ1CACNA1C

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-20110288084-A1 [4-( 1-AMINO-ETHYL) - CYCLOHEXYL ] - METHYL - AMINES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2011-11-24 US disclosed
US-20110288084-A1 [4-( 1-AMINO-ETHYL) - CYCLOHEXYL ] - METHYL - AMINES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2011-11-24 US disclosed
WO-2010055348-A1 [4- (1-AMINO-ETHYL) -CYCLOHEXYL] -METHYL-AMINES AS ANTIBACTERIALS ASTRAZENECA AB (SE) 2010-05-20 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-20110288084-A1 [4-( 1-AMINO-ETHYL) - CYCLOHEXYL ] - METHYL - AMINES AS ANTIBACTERIALS AAAS, EEF1A1, ACMSD KCNH2 469/4885KCNQ1 1108/4885CACNA1C 3080/4885

“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.