SCHEMBL4629447

SCHEMBL4629447

CC(C)c1ccc(N=C(N)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.52
SCN2A Q99250 1/20 0.52
P2RX7 Q99572 6/20 0.49
P2RX4 Q99571 3/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
CYP17A1 P05093 2/20 0.44
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX2 Q9UBL9 3/20 0.39
P2RX5 Q93086 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL4628704 0.82 MEN1 (0.49) P2RX7P2RX4PRSS1ACRALDH1A1
SCHEMBL4629433 0.74 SCN2A (0.57) SCN2A
SCHEMBL4629443 0.73 P2RX7 (0.53) P2RX7P2RX4CYP17A1ALDH1A1P2RX2
SCHEMBL4629406 0.69 SCN2A (0.78) SCN5ASCN2AGRIN2DGRIN3BGRIN1
SCHEMBL4628728 0.69 SCN2A (0.52) SCN2AP2RX7P2RX4GRIN2DGRIN3B
SCHEMBL4629412 0.69 P2RX4 (0.56) P2RX7P2RX4ALDH1A1P2RX2P2RX5
SCHEMBL4628449 0.69 SCN2A (1.00) SCN5ASCN2AGRIN2DGRIN3BGRIN1
SCHEMBL4628494 0.69 SCN2A (0.80) SCN5ASCN2AGRIN2DGRIN3BGRIN1
SCHEMBL4629297 0.68 SCN5A (0.62) SCN5ASCN2AGRIN2DGRIN3BGRIN1
SCHEMBL4629301 0.68 CNR2 (0.58) SCN5ASCN2AGRIN2DGRIN3BGRIN1

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
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP claimed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 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 (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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA SCN5A 1196/4885SCN2A 1613/4885P2RX7 1894/4885

“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.