SCHEMBL3316906

SCHEMBL3316906

Cc1ccc(C(C)N(C)C2CN(C(=O)O)C2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.37
CACNA1B Q00975 4/20 0.37
CACNB1 Q02641 4/20 0.37
CACNA1C Q13936 2/20 0.37
MCHR1 Q99705 2/20 0.37
CACNA1G O43497 1/20 0.37
KIF11 P52732 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 2/20 0.33
GRIN2B Q13224 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTT P42858 2/20 0.33

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
SCHEMBL3313190 0.87 TACR1 (0.37) MCHR1
SCHEMBL3317389 0.84 KIF11 (0.38) MCHR1KIF11KDM4EMEN1KMT2A
SCHEMBL3314526 0.76 CACNA2D1 (0.43) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3317456 0.75 MCHR1 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CMCHR1
SCHEMBL3320770 0.73 RBP4 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CMCHR1
SCHEMBL3316820 0.72 CHRM1 (0.40) CACNA1BSLC6A2SLC6A4
SCHEMBL3317066 0.68 MEN1 (0.43) MEN1KMT2A
SCHEMBL3320631 0.67 CCR5 (0.43) MCHR1ALDH1A1TDP1
SCHEMBL8960143 0.65 TRPA1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL8960497 0.65 TRPA1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 EP disclosed
WO-2007007057-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 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-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 CACNA2D1 384/4885CACNA1B 63/4885CACNB1 51/4885

“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.