SCHEMBL5725937

SCHEMBL5725937

COc1ccc2nccc([C@@H](O)CN3CCC(=O)CC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.54
SLC2A1 P11166 7/20 0.54
KCNJ1 P48048 1/20 0.38

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
SCHEMBL4272927 1.00 KCNH2 (0.54) KCNH2SLC2A1KCNJ1
SCHEMBL5725946 1.00 KCNH2 (0.54) KCNH2SLC2A1KCNJ1
SCHEMBL5250639 0.89 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL6834992 0.89 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL3953721 0.85 KCNH2 (0.53) KCNH2SLC2A1
SCHEMBL5252383 0.84 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5256971 0.84 KCNH2 (0.60) KCNH2SLC2A1
SCHEMBL5256973 0.84 KCNH2 (0.60) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5253585 0.83 KCNH2 (0.59) KCNH2SLC2A1
SCHEMBL14610801 0.82 KCNH2 (0.65) KCNH2SLC2A1

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-1305308-B1 AMINOPIPERIDINE QUINOLINES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2006-12-20 EP disclosed
EP-1719770-A2 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
EP-1320529-B1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2006-05-24 EP disclosed
US-6962917-B2 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2005-11-08 US disclosed
US-20040053928-A1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-18 US disclosed
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity SMITHKLINE BEECHAM P.L.C. (GB) 2004-02-26 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 (2 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-20040053928-A1 Quinoline derivatives as antibacterials AAAS, QDPR, QARS1 KCNH2 1839/4885SLC2A1 3990/4885KCNJ1 1688/4885
US-20040038998-A1 Aminopiperidine quinolines and their azaisosteric analogues with antibacterical activity AZI2, AMPD2, AMPD1 KCNH2 1010/4885SLC2A1 3639/4885KCNJ1 1033/4885

“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.