SCHEMBL7043365

SCHEMBL7043365

CC(C)CCN(c1ccc(NCc2ccc(O)cc2)cc1)C1CCN(C(=O)C(N)CC(C)C)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 13/20 0.73
OPRD1 P41143 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL7040846 0.93 CACNA1B (0.73) CACNA1BKMT2AMEN1
SCHEMBL7041779 0.92 CACNA1B (0.72) CACNA1BOPRD1KMT2A
SCHEMBL7038932 0.85 CACNA1B (0.72) CACNA1BKMT2AMEN1
SCHEMBL7043569 0.83 CACNA1B (0.72) CACNA1BKMT2AMEN1
SCHEMBL7043641 0.83 CACNA1B (0.75) CACNA1BKMT2A
SCHEMBL7037028 0.83 CACNA1B (0.74) CACNA1BKMT2A
SCHEMBL7352079 0.83 CACNA1B (0.62) CACNA1BOPRD1KMT2AMEN1
SCHEMBL7037601 0.82 CACNA1B (0.68) CACNA1BOPRD1
SCHEMBL7040197 0.82 CACNA1B (0.59) CACNA1BOPRD1KMT2A
SCHEMBL7040157 0.82 CACNA1B (0.59) CACNA1BOPRD1KMT2A

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-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
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 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 2/4885OPRD1 1767/4885KMT2A 4017/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885OPRD1 1767/4885KMT2A 4017/4885

“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.