SCHEMBL2329747

SCHEMBL2329747

COc1ccc2ncc(F)c(C[C@H](N)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.63

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
SCHEMBL2325326 1.00 KCNH2 (0.63) KCNH2
SCHEMBL2327153 1.00 KCNH2 (0.63) KCNH2
SCHEMBL2535481 0.91 KCNH2 (0.57) KCNH2
SCHEMBL2535004 0.91 KCNH2 (0.57) KCNH2
SCHEMBL2539418 0.91 KCNH2 (0.57) KCNH2
SCHEMBL2535936 0.91 KCNH2 (0.57) KCNH2
SCHEMBL2545079 0.91 KCNH2 (0.57) KCNH2
SCHEMBL2535007 0.91 KCNH2 (0.57) KCNH2
SCHEMBL2535933 0.91 KCNH2 (0.57) KCNH2
SCHEMBL2539029 0.91 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193179-B2 3-amino-6-(1-amino-ethyl)-tetrahydropyran derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-06-05 US claimed
EP-2167494-B1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
US-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-15 US claimed
US-8193179-B2 3-amino-6-(1-amino-ethyl)-tetrahydropyran derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-06-05 US disclosed
EP-2167494-B1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed
US-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-15 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-20100179135-A1 3-AMINO-6-(1-AMINO-ETHYL)-TETRAHYDROPYRAN DERIVATIVES ELANE, AAAS, DNPEP KCNH2 4015/4885

“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.