SCHEMBL4385299

SCHEMBL4385299

N#Cc1cc(CON=C2CCN(C(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 4/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNA1B Q00975 2/20 0.41
CACNB1 Q02641 2/20 0.41
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.38
PKM P14618 1/20 0.37
CACNA1G O43497 2/20 0.37
CFD P00746 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
CACNA1F O60840 2/20 0.35
HTR1A P08908 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
HRH2 P25021 2/20 0.35
ADRA1D P25100 2/20 0.35
HTR2A P28223 2/20 0.35

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
SCHEMBL8220310 0.93 CACNA1C (0.41) CACNA1CCACNA2D1CACNA1BCACNB1ALDH1A1
SCHEMBL4379075 0.91 CACNA1B (0.45) CACNA1CCACNA1BPTGDR2DPP4DPP8
SCHEMBL4385524 0.88 POLB (0.42) ALDH1A1MAPTDPP4DPP8RORC
SCHEMBL4382790 0.86 PTGDR2 (0.42) CACNA1CPTGDR2DPP4DPP8CACNA1F
SCHEMBL4384414 0.85 S1PR3 (0.36) CACNA2D1CACNA1BCACNB1PTGDR2DPP4
SCHEMBL4387758 0.84 FKBP1A (0.45) ALDH1A1MAPTPTGDR2DPP4DPP8
SCHEMBL4381738 0.84 KDM1A (0.39) ALDH1A1MAPTDPP4DPP8KCNH2
SCHEMBL4382741 0.84 DPP4 (0.36) ALDH1A1MAPTPKMDPP4DPP8
SCHEMBL4376868 0.83 DPP4 (0.36) DPP4DPP8RORC
SCHEMBL4381786 0.82 DPP4 (0.39) ALDH1A1DPP4DPP8RORC

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 CACNA1C 26/4885CACNA2D1 209/4885CACNA1B 28/4885

“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.