SCHEMBL4457531

SCHEMBL4457531

CN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCN(C(=O)CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 13/20 0.67
CCR5 P51681 1/20 0.53
VNN1 O95497 1/20 0.48
MCHR1 Q99705 5/20 0.47

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
SCHEMBL4457535 1.00 KCNH2 (0.67) KCNH2CCR5VNN1MCHR1
SCHEMBL4468483 1.00 KCNH2 (0.67) KCNH2CCR5VNN1MCHR1
SCHEMBL4458743 0.92 KCNH2 (0.67) KCNH2CCR5
SCHEMBL4477616 0.92 KCNH2 (0.67) KCNH2CCR5
SCHEMBL4458741 0.92 KCNH2 (0.67) KCNH2CCR5
SCHEMBL4474101 0.86 KCNH2 (0.58) KCNH2CCR5VNN1
SCHEMBL4466197 0.86 KCNH2 (0.58) KCNH2CCR5VNN1
SCHEMBL4458667 0.85 KCNH2 (0.69) KCNH2
SCHEMBL4458669 0.85 KCNH2 (0.69) KCNH2
SCHEMBL4463828 0.85 KCNH2 (0.69) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 US claimed
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 US disclosed
EP-1718633-A1 N-TYPE CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2006-11-08 EP disclosed
WO-2005070919-A1 N-TYPE CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-08-04 WO disclosed
US-20050165065-A1 N-type calcium channel blockers ZALICUS PHARMACEUTICALS LTD. (CA) 2005-07-28 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-20050165065-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1D KCNH2 46/4885CCR5 3482/4885VNN1 1100/4885

“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.