SCHEMBL7043697

SCHEMBL7043697

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

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 15/20 0.69
▸ CCR5 P51681 1/20 0.42
▸ RAB9A P51151 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7043696 1.00 CACNA1B (0.69) CACNA1BCCR5RAB9ANPC1LMNA
SCHEMBL7041837 0.95 CACNA1B (0.73) CACNA1BCCR5RAB9ANPC1LMNA
SCHEMBL7040882 0.95 CACNA1B (0.73) CACNA1BCCR5RAB9ANPC1LMNA
SCHEMBL7040887 0.95 CACNA1B (0.73) CACNA1BCCR5RAB9ANPC1LMNA
SCHEMBL7040187 0.92 CACNA1B (0.58) CACNA1BCCR5RAB9ANPC1
SCHEMBL7040183 0.92 CACNA1B (0.58) CACNA1BCCR5RAB9ANPC1
SCHEMBL7042695 0.89 CACNA1B (0.55) CACNA1B
SCHEMBL7042692 0.89 CACNA1B (0.55) CACNA1B
SCHEMBL7038902 0.87 CACNA1B (0.54) CACNA1B
SCHEMBL7038903 0.87 CACNA1B (0.54) 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 7 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
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 2/4885CCR5 1463/4885RAB9A 2314/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885CCR5 1463/4885RAB9A 2314/4885

“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.

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