SCHEMBL5013369

SCHEMBL5013369

O=C(CN1CCN(C(c2ccccc2)c2ccccc2)C1=O)N1CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 9/20 0.64
CACNB1 Q02641 9/20 0.64
CACNA1B Q00975 8/20 0.64
CACNA1G O43497 7/20 0.64
CACNA1C Q13936 5/20 0.64
CACNA1A O00555 1/20 0.63
GPX4 P36969 1/20 0.57
USP2 O75604 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
DPP8 Q6V1X1 1/20 0.53
CACNA1H O95180 1/20 0.52
TACR3 P29371 1/20 0.52
SLC6A9 P48067 1/20 0.51

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
SCHEMBL10670461 0.81 CACNA2D1 (0.61) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL2305958 0.79 CACNA2D1 (0.59) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL4179713 0.78 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL5268519 0.78 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL5266301 0.78 CACNA2D1 (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL7665618 0.77 NPC1 (0.78) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL13994884 0.77 CACNA1G (0.63) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL1446803 0.74 NPC1 (0.85) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL1446552 0.74 NPC1 (0.85) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C
SCHEMBL3954648 0.74 CACNA1G (1.00) CACNA2D1CACNB1CACNA1BCACNA1GCACNA1C

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-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US claimed
EP-1915355-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018459-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-02-15 WO claimed
US-20080306087-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-12-11 US disclosed
EP-1915355-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-30 EP 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 CACNA2D1 3616/4885CACNB1 2515/4885CACNA1B 1765/4885

“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.