SCHEMBL972747

SCHEMBL972747

Cc1nc(C2CCCCC2)n2c1c(C)nc1ccc(OCC3CC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.51
PDE2A O00408 8/20 0.45
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALOX5AP P20292 4/20 0.41
IGF1R P08069 2/20 0.39
PARP15 Q460N3 1/20 0.38
PARP10 Q53GL7 1/20 0.38
ACACB O00763 1/20 0.37

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
SCHEMBL973298 0.92 IGF1R (0.43) PDE10APDE2AMAOAMAOBALOX5AP
SCHEMBL3661859 0.88 PDE10A (0.41) PDE10APDE2AMAOAMAOBALOX5AP
SCHEMBL968810 0.85 PDE10A (0.62) PDE10APDE2AALOX5AP
SCHEMBL970101 0.79 PDE10A (0.47) PDE10APDE2A
SCHEMBL972749 0.79 PDE2A (0.50) PDE10APDE2AACACB
SCHEMBL968420 0.78 PDE10A (0.55) PDE10APDE2A
SCHEMBL970420 0.78 PDE10A (0.55) PDE10APDE2A
SCHEMBL970074 0.77 PDE10A (0.52) PDE10APDE2AALOX5AP
SCHEMBL3659601 0.77 PDE10A (0.67) PDE10APDE2AALOX5AP
SCHEMBL3654534 0.74 PDE10A (0.48) PDE10APDE2AMAOAMAOB

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
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US claimed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 US claimed
US-7875618-B2 8-chloro-3,4-dimethyl-1-(2- methylphenyl)imidazo[1,5- a]quinoxaline; inhibitors of phosphodiesterase 10; for treatment of central nervous system disorders (cognitive deficits, social phobia, reduced vigilance, obesity and psychosis) WYETH (US) 2011-01-25 US disclosed
US-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 ELBION GMBH (DE) 2009-06-04 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-20090143367-A1 ARYL AND HETEROARYL FUSED IMIDAZO[1,5-a]PYRAZINES AS INHIBITORS OF PHOSPHODIESTERASE 10 PDE12, PDE5A, PDE10A PDE10A 3/4885PDE2A 6/4885MAOA 67/4885

“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.