SCHEMBL4159979

SCHEMBL4159979

CC(C)(O)C1CCN(c2nc[c]cc2Cl)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.43
HPGDS O60760 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
ATR Q13535 2/20 0.35
ATRIP Q8WXE1 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PTGES O14684 1/20 0.33
CYP11B2 P19099 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL4166816 0.84 PDE10A (0.42) PDE10AHPGDSPIK3CAMTORATR
SCHEMBL3946680 0.74 PDE10A (0.52) PDE10AHPGDSLMNASMN1; SMN2
SCHEMBL4163018 0.72 GPR119 (0.37) PDE10AHPGDSPIK3CAMTORCYP11B2
SCHEMBL4171535 0.72 PDE10A (0.50) PDE10AHPGDSPIK3CAMTORATR
SCHEMBL27697973 0.71 ADRB2 (0.43)
SCHEMBL17838760 0.71 KDM4E (0.40) SMN1; SMN2
SCHEMBL4195075 0.66 PDE10A (0.54) PDE10AHPGDSPIK3CAMTORATR
SCHEMBL20361318 0.65 TRPV1 (0.44) HPGDSTRPV1
SCHEMBL20361250 0.65 PANK3 (0.44) PDE10AHPGDSPIK3CAMTORATR
SCHEMBL22587570 0.65 GRIN2D (0.46) PDE10APIK3CAMTORTRPV1

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 8/4885HPGDS 2513/4885PIK3CA 326/4885

“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.