SCHEMBL7040100

SCHEMBL7040100

CC(C)=CCN(c1ccc(OCC(C)(C)C)cc1)C1CCN(C(=O)C(N)CC(C)C)C1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 17/20 0.69
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35

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
SCHEMBL7040093 1.00 CACNA1B (0.69) CACNA1BHRH2HRH1
SCHEMBL7040088 1.00 CACNA1B (0.69) CACNA1BHRH2HRH1
SCHEMBL7041941 0.95 CACNA1B (0.62) CACNA1BHRH2HRH1
SCHEMBL7041943 0.95 CACNA1B (0.62) CACNA1BHRH2HRH1
SCHEMBL7041949 0.95 CACNA1B (0.62) CACNA1BHRH2HRH1
SCHEMBL7045030 0.95 CACNA1B (0.76) CACNA1BHRH2HRH1
SCHEMBL7045027 0.95 CACNA1B (0.76) CACNA1BHRH2HRH1
SCHEMBL7043482 0.88 CACNA1B (0.52) CACNA1BHRH2HRH1
SCHEMBL7043484 0.88 CACNA1B (0.52) CACNA1BHRH2HRH1
SCHEMBL7043486 0.88 CACNA1B (0.52) CACNA1BHRH2HRH1

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-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US claimed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 US claimed
US-20030060632-A1 Calcium channel blockers HU LAIN-YEN (US) 2003-03-27 US disclosed
US-6495715-B2 STROKE, ANTIISCHEMIC AGENTS, TRAUMAS, ANTIEPILEPIC AGENTS WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
US-20010023249-A1 Calcium channel blockers HU LAIN-YEN (US) 2001-09-20 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-20010023249-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885HRH2 1643/4885HRH1 1825/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885HRH2 1643/4885HRH1 1825/4885

“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.