SCHEMBL4628728

SCHEMBL4628728

NC(=Nc1cccc2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.52
SIGMAR1 Q99720 5/20 0.48
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
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
P2RX7 Q99572 5/20 0.42
P2RX4 Q99571 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP17A1 P05093 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
SCHEMBL6154925 0.80 SIGMAR1 (0.52) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL27689880 0.74 SCN2A (0.67) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4629412 0.73 P2RX4 (0.56) HPGDP2RX7P2RX4ALDH1A1LMNA
SCHEMBL4628719 0.72 SMN1; SMN2 (0.53) KDM4EMAPTHPGDP2RX7P2RX4
SCHEMBL7427722 0.72 SIGMAR1 (0.64) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
Guanidine SCHEMBL27709676 0.72 SCN2A (0.64) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL14503273 0.72 SMN1; SMN2 (0.66) KDM4EMAPTHPGDP2RX7P2RX4
SCHEMBL6156776 0.72 SIGMAR1 (0.52) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4629447 0.69 SCN5A (0.52) SCN2ASIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL4628704 0.69 MEN1 (0.49) KDM4EP2RX7P2RX4SMN1; SMN2ALDH1A1

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 SCN2A 1613/4885SIGMAR1 2799/4885GRIN2D 684/4885

“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.