SCHEMBL3316722

SCHEMBL3316722

O=C(O)N1CC(NC(c2ccc(F)cc2)C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.41
RPS6KB1 P23443 1/20 0.39
KCNK3 O14649 2/20 0.39
CHRM1 P11229 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37
DPP4 P27487 2/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3315968 0.79 ADRB2 (0.48) CACNA1BSLC6A4DPP4DPP9DPP7
SCHEMBL23212076 0.74 CYP2D6 (0.45) CACNA1BRPS6KB1DPP4DPP9DPP7
SCHEMBL16225235 0.73 CACNA1B (0.45) CACNA1BRPS6KB1DPP4DPP9DPP7
SCHEMBL23194519 0.73 KCNK3 (0.42) KCNK3HDAC6
SCHEMBL6630538 0.71 EPHX1 (0.38) KMT2A
SCHEMBL28510054 0.70 CYP2D6 (0.45) CACNA1BMEN1KMT2A
SCHEMBL21381650 0.70 SLC6A3 (0.51) CACNA1BDPP4DPP9DPP7
SCHEMBL6229667 0.69 HTR2A (0.56) CACNA1BRPS6KB1
SCHEMBL7418439 0.68 HSD11B1 (0.55) DRD2DRD4DRD3KMT2A
SCHEMBL21831199 0.68 CNR1 (0.43) CACNA1BDPP4DPP7MEN1KMT2A

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 CACNA1B 63/4885RPS6KB1 1027/4885KCNK3 347/4885

“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.