SCHEMBL5013016

SCHEMBL5013016

CCCCC(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.92

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 11/20 0.70
GPX4 P36969 2/20 0.68
CACNA2D1 P54289 5/20 0.61
CACNB1 Q02641 5/20 0.61
CACNA1B Q00975 4/20 0.61
CACNA1C Q13936 3/20 0.61
CACNA1A O00555 1/20 0.60

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
SCHEMBL3954648 0.82 CACNA1G (1.00) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL3962967 0.79 CACNA1G (0.77) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL24496181 0.79 GPX4 (0.61) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL3958369 0.78 CACNA1G (1.00) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL31298101 0.77 CACNA2D1 (0.59) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL16887951 0.77 CACNA1G (0.72) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL24496348 0.77 GPX4 (0.70) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL917195 0.76 GPX4 (0.69) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL5268519 0.76 CACNA2D1 (1.00) CACNA1GGPX4CACNA2D1CACNB1CACNA1B
SCHEMBL5266301 0.76 CACNA2D1 (1.00) CACNA1GGPX4CACNA2D1CACNB1CACNA1B

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
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US claimed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 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 (1 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-20080306087-A1 Therapeutic Agents NLN, BDNF, GAP43 CACNA1G 1982/4885GPX4 341/4885CACNA2D1 3616/4885

“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.