SCHEMBL7041834

SCHEMBL7041834

CC(C)=CCN(c1ccc(CCc2ccccc2)cc1)C1CCN(C(=O)[CH]CC(C)C(N)=O)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 11/20 0.57
▸ OPRD1 P41143 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL7040119 0.89 CACNA1B (0.69) CACNA1B
SCHEMBL7045465 0.87 CACNA1B (0.46) CACNA1B
SCHEMBL7349766 0.81 CACNA1B (0.58) CACNA1BOPRD1MEN1KMT2ASIGMAR1
SCHEMBL7040536 0.81 CACNA1B (0.46) CACNA1BMEN1KMT2A
SCHEMBL7043719 0.80 CACNA1B (0.79) CACNA1BOPRD1KMT2A
SCHEMBL7041836 0.80 CACNA1B (0.79) CACNA1BOPRD1KMT2A
SCHEMBL7043700 0.80 CACNA1B (0.79) CACNA1BOPRD1KMT2A
SCHEMBL7043316 0.80 CACNA1B (0.64) CACNA1BKMT2A
SCHEMBL7043712 0.79 CACNA1B (0.62) CACNA1BOPRD1
SCHEMBL7043708 0.79 CACNA1B (0.62) CACNA1BOPRD1

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
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
US-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 — — 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 2/4885OPRD1 1767/4885MEN1 829/4885
US-20030060632-A1 Calcium channel blockers CACNA1I, CACNA1B, CACNA1G CACNA1B 2/4885OPRD1 1767/4885MEN1 829/4885

“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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