SCHEMBL2359863

SCHEMBL2359863

COc1ccc2nccc(C[C@@H](O)[C@@H]3CC[C@@H](NC(=O)OCc4ccccc4)CO3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.43
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL3114694 0.92 KCNH2 (0.42) KCNH2ALDH1A1GAATSHR
SCHEMBL2541635 0.89 ALDH1A1 (0.45) KCNH2ALDH1A1GAACA1CA2
SCHEMBL2541639 0.89 ALDH1A1 (0.45) KCNH2ALDH1A1GAACA1CA2
SCHEMBL2361144 0.87 KLK7 (0.38) KCNH2ALDH1A1GAACA1CA2
SCHEMBL3111370 0.85 KCNH2 (0.45) KCNH2
SCHEMBL2332009 0.85 KCNH2 (0.45) KCNH2
SCHEMBL2325928 0.85 KCNH2 (0.45) KCNH2
SCHEMBL2360575 0.85 KLK7 (0.37) KCNH2TSHR
SCHEMBL2535504 0.83 DPP4 (0.47) KCNH2ALDH1A1GAACA1CA2
SCHEMBL2543399 0.83 DPP4 (0.47) KCNH2ALDH1A1GAACA1CA2

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-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 4015/4885ALDH1A1 2312/4885GAA 1607/4885

“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.