SCHEMBL2543084

SCHEMBL2543084

COc1ccc2nccc(C[C@H](N)C3CCC(NCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 14/20 0.75
KCNQ1 P51787 1/20 0.56
CACNA1C Q13936 1/20 0.56

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
SCHEMBL2534973 1.00 KCNH2 (0.75) KCNH2KCNQ1CACNA1C
SCHEMBL2539662 1.00 KCNH2 (0.75) KCNH2KCNQ1CACNA1C
SCHEMBL2539669 1.00 KCNH2 (0.75) KCNH2KCNQ1CACNA1C
SCHEMBL2534966 1.00 KCNH2 (0.75) KCNH2KCNQ1CACNA1C
SCHEMBL2543088 1.00 KCNH2 (0.75) KCNH2KCNQ1CACNA1C
SCHEMBL2541646 0.87 KCNH2 (0.57) KCNH2
SCHEMBL2544571 0.87 KCNH2 (0.57) KCNH2
SCHEMBL2539634 0.87 KCNH2 (0.57) KCNH2
SCHEMBL2541650 0.87 KCNH2 (0.57) KCNH2
SCHEMBL2540969 0.87 KCNH2 (0.57) 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 3 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 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.