SCHEMBL21707962

SCHEMBL21707962

CC(C)(C)OC(=O)C1NCCCC1c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.38
SLC6A2 P23975 2/20 0.37
SCN9A Q15858 2/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN5A Q14524 1/20 0.35
RECQL P46063 1/20 0.34
KDM1A O60341 2/20 0.33
SLC6A4 P31645 1/20 0.32
PDE4B Q07343 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL8986416 0.72 SLC6A2 (0.37) SLC6A3SLC6A2SCN9ASCN3ASCN5A
SCHEMBL27776815 0.71 ARG1 (0.39) SCN9ASCN3ASCN5A
SCHEMBL3547219 0.70 NPC1 (0.40)
SCHEMBL3547216 0.70 NPC1 (0.40)
SCHEMBL14343907 0.69 KDM1A (0.41) SLC6A3RECQLKDM1ASLC6A4MAOB
SCHEMBL27190337 0.69 MEN1 (0.61) RECQL
SCHEMBL5746785 0.69 MEN1 (0.61) RECQL
SCHEMBL9511045 0.69 MEN1 (0.61) RECQL
SCHEMBL5728913 0.68 MAPK1 (0.37) RECQL
SCHEMBL11931404 0.68 MEN1 (0.42) SLC6A2RECQLSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 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-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R SLC6A3 110/4885SLC6A2 59/4885SCN9A 545/4885

“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.