SCHEMBL4472864

SCHEMBL4472864

COc1c(C(C)(C)C)cc(C(=O)NCC#CCNC(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cc1C(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 18/20 0.63
▸ SLC6A3 Q01959 1/20 0.46

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
SCHEMBL13932375 0.91 KCNH2 (0.64) KCNH2SLC6A3
SCHEMBL4459459 0.89 KCNH2 (0.62) KCNH2SLC6A3
SCHEMBL4459633 0.89 KCNH2 (0.62) KCNH2SLC6A3
SCHEMBL4459462 0.89 KCNH2 (0.62) KCNH2SLC6A3
SCHEMBL4474701 0.87 KCNH2 (0.62) KCNH2
SCHEMBL4459399 0.83 KCNH2 (0.59) KCNH2SLC6A3
SCHEMBL4475302 0.82 EPHX2 (0.53) KCNH2SLC6A3
SCHEMBL4457002 0.82 SLC6A9 (0.55) KCNH2
SCHEMBL5501475 0.79 SLC6A9 (0.52) KCNH2
SCHEMBL4462507 0.79 SLC6A9 (0.52) KCNH2SLC6A3

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-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US claimed
EP-1846365-A1 DIAMINE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-10-24 — — EP claimed
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 — — US claimed
WO-2006084369-A1 DIAMINE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2006-08-17 — — WO claimed
US-7511077-B2 Diamine calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-31 — — US disclosed
US-20060235050-A1 Diamine calcium channel blockers NUEROMED TECHNOLOGIES, INC. (CA) 2006-10-19 — — 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-20060235050-A1 Diamine calcium channel blockers CACNA1G, CACNA1H, CACNA1I KCNH2 44/4885SLC6A3 461/4885

“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.

Send feedback