SCHEMBL6530261

SCHEMBL6530261

CCCn1c(=O)c2c(ccn2-c2ccc(OCc3ccc4ccccc4n3)cc2)n(CCC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.46
CYP1A2 P05177 5/20 0.46
CYSLTR1 Q9Y271 6/20 0.45
CYSLTR2 Q9NS75 4/20 0.45
GPBAR1 Q8TDU6 4/20 0.44
ALOX5 P09917 1/20 0.42
ADORA2A P29274 1/20 0.41

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
SCHEMBL6503352 0.76 ADORA2B (0.62) ADORA2A
SCHEMBL6508012 0.70 ADORA2B (0.65) ADORA2A
SCHEMBL10544630 0.69 CYSLTR1 (0.84) PDE10ACYP1A2CYSLTR1CYSLTR2GPBAR1
SCHEMBL12169160 0.69 PDE10A (0.64) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL1419982 0.69 PDE10A (0.64) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL9199452 0.68 GPBAR1 (0.59) PDE10ACYP1A2CYSLTR1CYSLTR2GPBAR1
SCHEMBL8001866 0.66 CYSLTR1 (0.74) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL6502281 0.66 ADORA2B (0.59) PDE10AADORA2A
SCHEMBL10547475 0.66 CYSLTR1 (0.76) PDE10ACYSLTR1CYSLTR2GPBAR1ALOX5
SCHEMBL10547998 0.66 CYSLTR1 (1.00) PDE10ACYSLTR1CYSLTR2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ALMIRALL PRODESFARMA S.A. (ES) 2005-03-31 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-20050070558-A1 6-Phenyldihydropyrrolopyrimidinedione derivatives ADORA1, ADORA2A, P2RY10 PDE10A 795/4885CYP1A2 44/4885CYSLTR1 374/4885

“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.