SCHEMBL13801064

SCHEMBL13801064

C[C@H](OC(=O)NCc1ccccc1-c1cccnc1C(=O)NCC1CC1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 9/20 1.00
KCNA3 P22001 1/20 0.56
GRIN2B Q13224 1/20 0.45
CNR1 P21554 7/20 0.40
CNR2 P34972 5/20 0.40
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
ENPP2 Q13822 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
SCHEMBL4235959 0.84 KCNA5 (0.73) KCNA5KCNA3CNR1CNR2
SCHEMBL4235964 0.84 KCNA5 (0.73) KCNA5KCNA3CNR1CNR2
SCHEMBL13801062 0.83 KCNA5 (0.82) KCNA5KCNA3
SCHEMBL6763911 0.77 KCNA5 (0.61) KCNA5CNR1CNR2
SCHEMBL6184714 0.73 KCNA5 (0.57) KCNA5KCNA3GRIN2B
SCHEMBL2212471 0.72 KCNA5 (1.00) KCNA5KCNA3
SCHEMBL498107 0.72 KCNA5 (1.00) KCNA5KCNA3
SCHEMBL498106 0.72 KCNA5 (1.00) KCNA5KCNA3
SCHEMBL12434370 0.71 KCNA5 (0.55) KCNA5KCNA3
SCHEMBL12434375 0.70 KCNA5 (0.67) KCNA5KCNA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-11 US disclosed
US-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-06-11 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-20090149496-A1 INHIBITORS OF THE TASK-1 AND TASK-3 ION CHANNEL KCNN3, CACNA1I, KCNN1 KCNA5 67/4885KCNA3 28/4885GRIN2B 551/4885

“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.