SCHEMBL4171535

SCHEMBL4171535

CC(C)(O)C1CCN(c2ncc(B(O)O)cc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.50
HPGDS O60760 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.38
CYP11B2 P19099 1/20 0.37
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
HPGD P15428 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL3946680 0.82 PDE10A (0.52) PDE10AHPGDSSMN1; SMN2LMNAPOLB
SCHEMBL4192021 0.81 PDE10A (0.52) PDE10AHPGDSCYP11B2PIK3CAMTOR
SCHEMBL20606514 0.75 MAOB (0.42) SMN1; SMN2POLBMAPTKDM4EGAA
SCHEMBL15539728 0.75 CHRNB2 (0.43) POLB
SCHEMBL4159979 0.72 PDE10A (0.43) PDE10AHPGDSSMN1; SMN2LMNACYP11B2
SCHEMBL4195075 0.71 PDE10A (0.54) PDE10AHPGDSSMN1; SMN2LMNACYP11B2
SCHEMBL16467124 0.69 PDE10A (0.51) PDE10AHPGDSCYP11B2PIK3CAMTOR
SCHEMBL3955964 0.68 PDE10A (1.00) PDE10A
SCHEMBL13909589 0.68 PDE10A (0.77) PDE10A
SCHEMBL16795172 0.66 ALK (0.38) POLB

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
WO-2009029214-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-03-05 WO disclosed
US-20090062291-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. 2009-03-05 US disclosed
US-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2009-02-26 US disclosed
WO-2009025839-A2 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 (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-20090062291-A1 PHOSPHODIESTERASE 10 INHIBITORS PDE10A, PDE12, PDE5A PDE10A 1/4885HPGDS 3364/4885SMN1; SMN2 4698/4885
US-20090054434-A1 ISOQUINOLONE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE4A, PDE4B PDE10A 8/4885HPGDS 2513/4885SMN1; SMN2 4641/4885

“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.