SCHEMBL925225

SCHEMBL925225

COC(=O)c1cnc(OC2CCCC2)c(-c2ccncc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.53
ABL1 P00519 1/20 0.42
NEK1 Q96PY6 1/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
TACR2 P21452 1/20 0.41
CNR2 P34972 1/20 0.41
FFAR4 Q5NUL3 2/20 0.41
SCN9A Q15858 2/20 0.41
SCN5A Q14524 1/20 0.41
HPGDS O60760 1/20 0.40

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
SCHEMBL20021956 0.89 CNR1 (0.53) CNR1NEK1PDE4APDE4BPDE4C
SCHEMBL924433 0.82 CNR1 (0.44) CNR1ABL1PDE4ACNR2FFAR4
SCHEMBL924247 0.78 KMT2A (0.47) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL20021958 0.77 CNR1 (0.54) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL71189 0.75 PDE4D (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL2704505 0.75 CNR1 (0.71) CNR1CNR2SCN9ASCN5A
SCHEMBL20021961 0.74 CNR1 (0.54) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL19510615 0.73 FFAR4 (0.65) FFAR4
SCHEMBL30350584 0.73 FFAR4 (0.65) FFAR4
SCHEMBL30462928 0.73 FFAR4 (0.65) FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163766-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2012-04-24 US disclosed
US-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-19 US disclosed
US-7872009-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-01-18 US disclosed
US-20070185103-A1 Beta-secretase modulators and methods of use AMGEN INC. 2007-08-09 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 (2 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-20110118250-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP CNR1 506/4885ABL1 3922/4885NEK1 2892/4885
US-20070185103-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP CNR1 506/4885ABL1 3922/4885NEK1 2892/4885

“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.