SCHEMBL3310959

SCHEMBL3310959

CC(NC1CN(C(=O)O)C1)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PHGDH O43175 1/20 0.41
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
KDM1A O60341 1/20 0.39
PTGER4 P35408 2/20 0.39
GPR139 Q6DWJ6 1/20 0.38
USP30 Q70CQ3 3/20 0.38
HTT P42858 1/20 0.38
AKT1 P31749 1/20 0.37
EPHX2 P34913 1/20 0.37
F2R P25116 1/20 0.37
TEAD1 P28347 1/20 0.37

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
SCHEMBL3317146 0.82 L3MBTL1 (0.42) PHGDHGAAL3MBTL1TSHRTEAD1
SCHEMBL3315968 0.81 ADRB2 (0.48) ALDH1A1GAAL3MBTL1KDM4EHTT
SCHEMBL3318604 0.79 KDM1A (0.49) KDM1A
SCHEMBL3315251 0.77 ACACB (0.52) GAAL3MBTL1KDM1A
SCHEMBL21825109 0.77 DPP4 (0.46) PANK3ALDH1A1MAPTTSHRHTT
SCHEMBL3320853 0.76 DPP4 (0.45) ALDH1A1PHGDHGAAL3MBTL1KDM4E
SCHEMBL3321124 0.75 GAA (0.40) PANK3GAAL3MBTL1TSHRKDM1A
SCHEMBL3317082 0.75 EPHX2 (0.45) ALDH1A1EPHX2TEAD1
SCHEMBL12505582 0.72 PHGDH (0.51) PHGDHGAAL3MBTL1KDM4EMAPT
SCHEMBL3124464 0.72 PHGDH (0.51) PHGDHGAAL3MBTL1KDM4EMAPT

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 PANK3 3343/4885ALDH1A1 1255/4885PHGDH 4480/4885

“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.