SCHEMBL2536588

SCHEMBL2536588

COc1ccc2nccc(CC(N)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 18/20 0.64
KCNQ1 P51787 1/20 0.49
CACNA1C Q13936 1/20 0.49

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
SCHEMBL2539648 1.00 KCNH2 (0.64) KCNH2KCNQ1CACNA1C
SCHEMBL2536597 1.00 KCNH2 (0.64) KCNH2KCNQ1CACNA1C
SCHEMBL2536593 1.00 KCNH2 (0.64) KCNH2KCNQ1CACNA1C
SCHEMBL2543028 1.00 KCNH2 (0.64) KCNH2KCNQ1CACNA1C
SCHEMBL2539645 1.00 KCNH2 (0.64) KCNH2KCNQ1CACNA1C
SCHEMBL3373019 0.92 KCNH2 (0.59) KCNH2
SCHEMBL2328537 0.90 KCNH2 (0.78) KCNH2
SCHEMBL2328526 0.90 KCNH2 (0.78) KCNH2
SCHEMBL2325103 0.90 KCNH2 (0.78) KCNH2
SCHEMBL3666612 0.90 KCNH2 (0.78) KCNH2

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-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 EP claimed
US-8044044-B2 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-25 US claimed
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US claimed
EP-2094267-B1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-04-22 EP disclosed
US-8044044-B2 4-(1-amino-ethyl)-cyclohexylamine derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-10-25 US disclosed
US-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-02-04 US 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-20100029623-A1 4-(1-AMINO-ETHYL)-CYCLOHEXYLAMINE DERIVATIVES AHR, KRAS, CNKSR1 KCNH2 296/4885KCNQ1 1093/4885CACNA1C 1325/4885

“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.