SCHEMBL9988129

SCHEMBL9988129

O=C(O)N1CC(c2nc3ccccc3cc2-c2ccccc2)C1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.68
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
PTPRA P18433 1/20 0.40
HTR2B P41595 1/20 0.40
AKT1 P31749 1/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL2593664 0.83 PDE10A (0.59) PDE10AKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL9988414 0.82 PDE10A (0.48) PDE10AKDM4EL3MBTL1TDP1KMT2A
SCHEMBL2595675 0.81 PDE10A (1.00) PDE10A
SCHEMBL7699966 0.76 PDE10A (0.52) PDE10AKDM4EALDH1A1L3MBTL1TDP1
SCHEMBL2590292 0.74 PDE10A (0.45) PDE10AKDM4EALDH1A1TDP1HTR2B
Hydrochloric Acid SCHEMBL16454457 0.74 PDE10A (0.51) PDE10AKDM4EALDH1A1L3MBTL1TDP1
SCHEMBL9988939 0.74 PDE10A (0.62) PDE10A
SCHEMBL9988452 0.73 PDE10A (0.62) PDE10AKDM4EALDH1A1LMNAHCRTR1
SCHEMBL7700269 0.73 PDE10A (0.50) PDE10AKDM4EALDH1A1L3MBTL1TDP1
SCHEMBL1741796 0.73 MGAM (0.45) PDE10AKDM4EALDH1A1L3MBTL1LMNA

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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885KDM4E 3148/4885ALDH1A1 526/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885KDM4E 3148/4885ALDH1A1 526/4885

“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.