SCHEMBL7040536

SCHEMBL7040536

CC(C)CCN(c1ccc(Cc2ccccc2)cc1)C1CCN(C(=O)[CH]CC(C)C(N)=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 19/20 0.46
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL7041777 0.89 CACNA1B (0.60) CACNA1BMEN1KMT2A
SCHEMBL7036883 0.89 CACNA1B (0.60) CACNA1B
SCHEMBL7042629 0.88 CACNA1B (0.43) CACNA1B
SCHEMBL7041179 0.88 CACNA1B (0.47) CACNA1BMEN1KMT2A
SCHEMBL7037600 0.88 CACNA1B (0.54) CACNA1BMEN1KMT2A
SCHEMBL7037550 0.86 CACNA1B (0.46) CACNA1BMEN1KMT2A
SCHEMBL7041055 0.85 CACNA1B (0.57) CACNA1B
SCHEMBL7043035 0.84 CACNA1B (0.45) CACNA1BMEN1KMT2A
SCHEMBL7040203 0.84 CACNA1B (0.50) CACNA1B
SCHEMBL7041891 0.83 CACNA1B (0.59) CACNA1BMEN1KMT2A

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
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

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 2/4885MEN1 829/4885KMT2A 4017/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885MEN1 829/4885KMT2A 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.