SCHEMBL4146604

SCHEMBL4146604

Fc1ccc(C#Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 4/20 0.66
CYSLTR2 Q9NS75 3/20 0.66
PDE10A Q9Y233 10/20 0.63
HTR2B P41595 1/20 0.60
GPBAR1 Q8TDU6 2/20 0.58
FFAR1 O14842 1/20 0.53
AKR1B1 P15121 1/20 0.53
ALOX5 P09917 1/20 0.51

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
SCHEMBL10547699 0.93 CYSLTR1 (0.76) CYSLTR1CYSLTR2PDE10AHTR2BGPBAR1
SCHEMBL13772771 0.90 CYSLTR1 (0.77) CYSLTR1CYSLTR2PDE10AGPBAR1FFAR1
SCHEMBL13772899 0.89 PDE10A (0.73) CYSLTR1CYSLTR2PDE10AHTR2BGPBAR1
SCHEMBL3271496 0.86 CYSLTR1 (0.66) CYSLTR1CYSLTR2PDE10AGPBAR1
SCHEMBL4162863 0.86 CYSLTR1 (0.66) CYSLTR1CYSLTR2PDE10AGPBAR1FFAR1
SCHEMBL10607508 0.81 CYSLTR1 (0.71) CYSLTR1CYSLTR2PDE10AGPBAR1FFAR1
SCHEMBL13772774 0.81 PDE10A (0.70) CYSLTR1CYSLTR2PDE10AHTR2B
SCHEMBL10547998 0.80 CYSLTR1 (1.00) CYSLTR1CYSLTR2PDE10AGPBAR1FFAR1
SCHEMBL6583310 0.79 CYSLTR1 (0.78) CYSLTR1CYSLTR2PDE10AGPBAR1FFAR1
SCHEMBL4147303 0.78 PDE10A (0.72) CYSLTR1CYSLTR2PDE10AHTR2B

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.