SCHEMBL4192021

SCHEMBL4192021

CC(C)(O)C1CCN(c2ncc(B(O)O)cc2C(F)F)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.52
CYP11B2 P19099 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
ABL1 P00519 3/20 0.33
HPGDS O60760 1/20 0.32
PIK3CD O00329 1/20 0.31
LRRK2 Q5S007 1/20 0.31
VNN1 O95497 1/20 0.30
ATR Q13535 1/20 0.30
ATRIP Q8WXE1 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
SCHEMBL4195075 0.83 PDE10A (0.54) PDE10ACYP11B2PIK3CAMTORHPGDS
SCHEMBL4171535 0.81 PDE10A (0.50) PDE10ACYP11B2PIK3CAMTORHPGDS
SCHEMBL4197013 0.69 PDE10A (1.00) PDE10A
SCHEMBL16467124 0.67 PDE10A (0.51) PDE10ACYP11B2PIK3CAMTORABL1
SCHEMBL3946680 0.66 PDE10A (0.52) PDE10AHPGDS
SCHEMBL27099112 0.66 OPRK1 (0.35)
SCHEMBL16795172 0.63 ALK (0.38) PIK3CD
SCHEMBL26917086 0.62 PDGFRB (0.33)
SCHEMBL1708576 0.62 ALDH1A1 (0.40) PIK3CAMTORLRRK2
SCHEMBL1708597 0.62 KDM4E (0.48) ABL1LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062277-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. 2009-03-05 US disclosed
WO-2009025823-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-02-26 WO 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-20090062277-A1 PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE12, PDE10A PDE10A 3/4885CYP11B2 242/4885PIK3CA 389/4885

“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.