SCHEMBL7043550

SCHEMBL7043550

CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(C(=O)C(N)CC(C)C)C1

nearest known ligand 0.82

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 16/20 0.82
DPP7 Q9UHL4 1/20 0.44
BTK Q06187 2/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL7043319 1.00 CACNA1B (0.82) CACNA1BDPP7BTKLMNASMN1; SMN2
SCHEMBL7043548 1.00 CACNA1B (0.82) CACNA1BDPP7BTKLMNASMN1; SMN2
SCHEMBL7038253 0.92 CACNA1B (0.70) CACNA1BDPP7
SCHEMBL7038247 0.92 CACNA1B (0.70) CACNA1BDPP7
SCHEMBL7038248 0.92 CACNA1B (0.70) CACNA1BDPP7
SCHEMBL2866427 0.90 CACNA1B (1.00) CACNA1BDPP7
SCHEMBL2866423 0.90 CACNA1B (1.00) CACNA1BDPP7
SCHEMBL7038930 0.90 CACNA1B (1.00) CACNA1BDPP7
Hydrochloric Acid SCHEMBL7038897 0.90 CACNA1B (0.98) CACNA1BDPP7
SCHEMBL7039456 0.89 CACNA1B (0.65) CACNA1B

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 8 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-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US claimed
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO 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
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO 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 2/4885DPP7 3370/4885BTK 4124/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885DPP7 3370/4885BTK 4124/4885

“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.