SCHEMBL7041308

SCHEMBL7041308

CC(C)CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(CC(N)CC(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 14/20 0.56
▸ CCR5 P51681 1/20 0.43
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7041311 1.00 CACNA1B (0.56) CACNA1BCCR5RAB9ANPC1HRH3
SCHEMBL7037965 0.95 CACNA1B (0.59) CACNA1BCCR5RAB9ANPC1HRH3
SCHEMBL7037966 0.95 CACNA1B (0.59) CACNA1BCCR5RAB9ANPC1HRH3
SCHEMBL7045341 0.95 CACNA1B (0.59) CACNA1BCCR5RAB9ANPC1HRH3
SCHEMBL7045122 0.95 CACNA1B (0.55) CACNA1BCCR5RAB9AHRH3
SCHEMBL7045121 0.95 CACNA1B (0.55) CACNA1BCCR5RAB9AHRH3
SCHEMBL7043503 0.91 CACNA1B (0.47) CACNA1BCCR5
SCHEMBL7043500 0.91 CACNA1B (0.47) CACNA1BCCR5
SCHEMBL7040550 0.88 CACNA1B (0.42) CACNA1BRAB9A
SCHEMBL7040547 0.88 CACNA1B (0.42) CACNA1BRAB9A

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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