SCHEMBL5548263

SCHEMBL5548263

O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 8/20 1.00
CACNA1B Q00975 8/20 1.00
CACNB1 Q02641 8/20 1.00
CACNA1C Q13936 7/20 1.00
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
ALDH1A1 P00352 1/20 0.64
POLB P06746 1/20 0.64
NPSR1 Q6W5P4 2/20 0.56
ATM Q13315 1/20 0.56
PKM P14618 1/20 0.55
CACNA1G O43497 1/20 0.55
KDM4E B2RXH2 1/20 0.54
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
SLC6A9 P48067 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5549056 0.92 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5549075 0.89 CACNA2D1 (0.80) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5548282 0.89 CACNA2D1 (0.80) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5541417 0.89 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5547410 0.89 CACNA2D1 (0.80) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5541435 0.88 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5547473 0.87 CACNA2D1 (0.76) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5543951 0.85 CACNA2D1 (0.73) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5544039 0.85 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CMEN1
SCHEMBL5541451 0.84 CACNA2D1 (1.00) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745042-A1 DIARYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2007-01-24 EP claimed
WO-2005097779-A1 DIARYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2005-10-20 WO claimed
US-20050227999-A1 Diarylamine derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-10-13 US claimed
US-20050227999-A1 Diarylamine derivatives as calcium channel blockers NEUROMED TECHNOLOGIES INC. 2005-10-13 US disclosed
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2005-01-13 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-20050227999-A1 Diarylamine derivatives as calcium channel blockers ORAI1, CACNA1D, CACNA1C CACNA2D1 51/4885CACNA1B 4/4885CACNB1 12/4885
US-20050009876-A1 Indazole compounds, compositions thereof and methods of treatment therewith GPR119, JAK3, IGF1R CACNA2D1 4214/4885CACNA1B 3806/4885CACNB1 3156/4885

“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.