SCHEMBL5633732

SCHEMBL5633732

CC(C)(C)c1cc(CNCC2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc(C(C)(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 17/20 1.00
CCR2 P41597 3/20 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
SCHEMBL5634945 0.89 KCNH2 (1.00) KCNH2
SCHEMBL5633525 0.87 KCNH2 (0.82) KCNH2
SCHEMBL5633233 0.84 KCNH2 (0.76) KCNH2
SCHEMBL5635444 0.84 KCNH2 (1.00) KCNH2
SCHEMBL14476192 0.82 KCNH2 (0.73) KCNH2
SCHEMBL5026294 0.78 KCNH2 (1.00) KCNH2
SCHEMBL5633170 0.76 KCNH2 (1.00) KCNH2CCR2
SCHEMBL5634775 0.75 KCNH2 (1.00) KCNH2
SCHEMBL5633512 0.74 KCNH2 (1.00) KCNH2
SCHEMBL5634038 0.73 KCNH2 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 US claimed
US-20050014748-A1 N-type calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-01-20 US claimed
US-7244758-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2007-07-17 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-20050014748-A1 N-type calcium channel blockers CACNA1B, CACNA1C, CACNA1I KCNH2 33/4885CCR2 4359/4885

“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.