SCHEMBL3314526

SCHEMBL3314526

Cc1ccc(C(C)NC2CN(C(=O)O)C2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 4/20 0.43
CACNA1B Q00975 4/20 0.43
CACNB1 Q02641 4/20 0.43
CACNA1C Q13936 2/20 0.41
CACNA1G O43497 1/20 0.41
BRD4 O60885 3/20 0.37
GPR139 Q6DWJ6 2/20 0.37
GRIN2B Q13224 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL3319177 0.86 SOS1 (0.37) GPR139
SCHEMBL3317207 0.83 CASR (0.42) GPR139HPGD
SCHEMBL3317146 0.80 L3MBTL1 (0.42) CACNA2D1CACNA1BCACNB1CACNA1CGRIN2B
SCHEMBL3316633 0.78 SLC6A9 (0.44) BRD4GPR139
SCHEMBL3316906 0.76 CACNA2D1 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3313025 0.75 CHRNB2 (0.37) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3321099 0.75 DPP4 (0.46) GPR139RAB9AHPGD
SCHEMBL3319712 0.73 CNR1 (0.44) CACNA2D1CACNA1BCACNB1CACNA1CCACNA1G
SCHEMBL3317794 0.70 CNR1 (0.46) CACNA2D1CACNA1BCACNB1CACNA1CSMN1; SMN2
SCHEMBL3315968 0.70 ADRB2 (0.48) CACNA1BNPC1RAB9A

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.