SCHEMBL3558844

SCHEMBL3558844

COC(=O)C1(O)CCN(c2nc(F)ccc2C)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 3/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE10A Q9Y233 1/20 0.34
SCN10A Q9Y5Y9 5/20 0.33
JAK1 P23458 3/20 0.33
TYK2 P29597 3/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33
PTGER4 P35408 3/20 0.32
ABL1 P00519 2/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL3435689 0.86 KIF18A (0.35) KIF18ASCN10AHIF1A
SCHEMBL3436541 0.85 OPRM1 (0.38) KIF18APDE4APDE4BPDE3BPDE3A
SCHEMBL3436543 0.84 KIF18A (0.35) KIF18APDE4APDE4BPDE3BPDE3A
SCHEMBL3543810 0.82 MAPT (0.42) ALDH1A1
SCHEMBL3436768 0.78 TRPV1 (0.48)
SCHEMBL3559368 0.76 OPRK1 (0.42) PDE4APDE4BPDE3BPDE3APDE10A
SCHEMBL10278274 0.74 TRPV1 (0.45) ALDH1A1
SCHEMBL3436512 0.71 ALDH1A1 (0.51) KDM4EALDH1A1HTTKMT2A
SCHEMBL3558539 0.70 HTR1D (0.40) MEN1ALDH1A1GAAHTTKMT2A
SCHEMBL27684336 0.70 MALT1 (0.47) ALDH1A1KMT2A

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-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 EP 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 KIF18A 1520/4885PDE4A 571/4885PDE4B 567/4885

“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.