SCHEMBL4166816

SCHEMBL4166816

Cc1c[c]cnc1N1CCC(C(C)(C)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.42
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
CYP11B2 P19099 1/20 0.33
ATR Q13535 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
HPGDS O60760 1/20 0.31
PTGES O14684 1/20 0.31
LMNA P02545 1/20 0.31
SYK P43405 1/20 0.31
PIK3CD O00329 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL4159979 0.84 PDE10A (0.43) PDE10APIK3CAMTORCYP11B2ATR
SCHEMBL4163018 0.74 GPR119 (0.37) PDE10APIK3CAMTORCYP11B2HPGDS
SCHEMBL17838752 0.73 HRH4 (0.40)
SCHEMBL16467124 0.73 PDE10A (0.51) PDE10APIK3CAMTORCYP11B2ATR
SCHEMBL17838700 0.72 ALDH1A1 (0.44) LRRK2
SCHEMBL17838686 0.70 KDM4E (0.37) PDE10APIK3CAMTOR
SCHEMBL4763349 0.66 HSD11B1 (0.34)
SCHEMBL22587570 0.66 GRIN2D (0.46) PDE10APIK3CAMTOR
SCHEMBL3946680 0.64 PDE10A (0.52) PDE10AHPGDSLMNA
SCHEMBL8044650 0.64 GPR119 (0.51) LMNASYK

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-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-02-26 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-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE4A, PDE4B PDE10A 8/4885PIK3CA 326/4885MTOR 3089/4885

“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.