SCHEMBL3247271

SCHEMBL3247271

COc1ccc2ncc(Cl)c(CCN3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)[C@H](F)C3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.55
SLC2A1 P11166 1/20 0.42

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
SCHEMBL3251399 1.00 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL3247267 1.00 KCNH2 (0.55) KCNH2SLC2A1
SCHEMBL3251394 1.00 KCNH2 (0.55) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3248417 0.99 KCNH2 (0.55) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3248411 0.99 KCNH2 (0.55) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5746835 0.92 KCNH2 (0.51) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL6079365 0.92 KCNH2 (0.51) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL6079362 0.92 KCNH2 (0.51) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL5746843 0.92 KCNH2 (0.51) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL6079369 0.92 KCNH2 (0.51) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181996-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2010-05-05 EP claimed
US-7312212-B2 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2007-12-25 US claimed
US-20050159411-A1 Aminopiperidine derivatives GLAXO GROUP LIMITED (GB) 2005-07-21 US claimed

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-20050159411-A1 Aminopiperidine derivatives AMPD2, AMPD3, NPEPPS KCNH2 1182/4885SLC2A1 3708/4885

“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.