SCHEMBL4162863

SCHEMBL4162863

COc1ccc(C#Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.66
CYSLTR2 Q9NS75 4/20 0.66
PDE10A Q9Y233 5/20 0.60
GPBAR1 Q8TDU6 4/20 0.58
ALOX5 P09917 1/20 0.54
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53

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
SCHEMBL10547475 0.93 CYSLTR1 (0.76) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL13772771 0.90 CYSLTR1 (0.77) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL13772898 0.89 CYSLTR1 (0.69) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL4146604 0.86 CYSLTR1 (0.66) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL3271496 0.86 CYSLTR1 (0.66) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL8732702 0.82 PDE10A (0.66) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL10547803 0.82 CYSLTR1 (0.69) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL10607508 0.81 CYSLTR1 (0.71) CYSLTR1CYSLTR2PDE10AGPBAR1ALOX5
SCHEMBL4151512 0.81 PDE10A (0.63) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL10547998 0.80 CYSLTR1 (1.00) CYSLTR1CYSLTR2PDE10AGPBAR1FFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2009-07-09 US disclosed
US-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2009-07-09 US disclosed
WO-2007129183-A2 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER PRODUCTS INC. (US) 2007-11-15 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 (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-20090176829-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE7A, PDE9A CYSLTR1 3635/4885CYSLTR2 3802/4885PDE10A 4/4885

“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.