SCHEMBL7042877

SCHEMBL7042877

CC(C)=CCN(c1ccc(CCC2CCCCC2)cc1)[C@H]1CCN(CC(N)CC(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 14/20 0.47
MAOB P27338 4/20 0.32
MC4R P32245 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL7042875 1.00 CACNA1B (0.47) CACNA1BMAOBMC4RMAOA
SCHEMBL7044600 0.96 CACNA1B (0.45) CACNA1BMAOB
SCHEMBL7044602 0.96 CACNA1B (0.45) CACNA1BMAOB
SCHEMBL7043519 0.96 CACNA1B (0.49) CACNA1BMAOBMC4RMAOA
SCHEMBL7038436 0.96 CACNA1B (0.49) CACNA1BMAOBMC4RMAOA
SCHEMBL7038430 0.96 CACNA1B (0.49) CACNA1BMAOBMC4RMAOA
SCHEMBL7040823 0.90 CACNA1B (0.46) CACNA1B
SCHEMBL7040825 0.90 CACNA1B (0.46) CACNA1B
SCHEMBL7042695 0.88 CACNA1B (0.55) CACNA1BMAOBMAOA
SCHEMBL7042692 0.88 CACNA1B (0.55) CACNA1BMAOBMAOA

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 2/4885MAOB 613/4885MC4R 3015/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885MAOB 613/4885MC4R 3015/4885

“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.