SCHEMBL4020382

SCHEMBL4020382

Cc1c(F)cccc1[C@H]1[C@@H](C(=O)c2cccc(O)c2)CNC[C@@H]1C(=O)N1CCC[C@H]1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.33
MGLL Q99685 4/20 0.32
TACR1 P25103 1/20 0.31
SPR P35270 1/20 0.31
NAMPT P43490 1/20 0.31
RAB9A P51151 1/20 0.31
BACE1 P56817 1/20 0.31
HSP90AA1 P07900 2/20 0.31
HSP90AB1 P08238 2/20 0.31
DDR1 Q08345 1/20 0.30
ROCK2 O75116 1/20 0.30
DPP4 P27487 1/20 0.30
HCRTR1 O43613 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4788062 0.85 MEN1 (0.33) SCN9AMGLLTACR1HCRTR1MAPK1
SCHEMBL4751656 0.84 SLC2A1 (0.36) MGLL
SCHEMBL4749437 0.84 SLC2A1 (0.36) MGLL
SCHEMBL4749450 0.84 SLC2A1 (0.36) MGLL
SCHEMBL4021780 0.84 USP30 (0.35) SCN9AHSP90AA1HSP90AB1
SCHEMBL4021773 0.84 USP30 (0.35) SCN9AHSP90AA1HSP90AB1
SCHEMBL4021776 0.84 USP30 (0.35) SCN9AHSP90AA1HSP90AB1
SCHEMBL4749520 0.84 SCN9A (0.32) SCN9ARAB9A
SCHEMBL4751991 0.84 USP30 (0.35) SCN9AHSP90AA1HSP90AB1
SCHEMBL4022016 0.83 ALDH1A1 (0.38) MGLL

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-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 SCN9A 4848/4885MGLL 2929/4885TACR1 1443/4885

“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.