SCHEMBL5120063

SCHEMBL5120063

CCCc1cn(CCO)nc1OCc1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 7/20 0.47
GPBAR1 Q8TDU6 8/20 0.45
CYSLTR2 Q9NS75 3/20 0.44
PDE10A Q9Y233 5/20 0.43
CYP1A2 P05177 2/20 0.43
LGALS3 P17931 1/20 0.43
PDE4D Q08499 1/20 0.43
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 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
SCHEMBL5120017 0.94 CYSLTR1 (0.46) CYSLTR1GPBAR1CYSLTR2PDE10ACYP1A2
SCHEMBL5110283 0.88 FFAR1 (0.47) CYSLTR1GPBAR1CYSLTR2PDE10ACYP1A2
SCHEMBL5113446 0.74 CYSLTR1 (0.50) CYSLTR1GPBAR1CYSLTR2PDE10ACYP1A2
SCHEMBL5120823 0.74 GPBAR1 (0.50) CYSLTR1GPBAR1CYSLTR2PDE10ACYP1A2
SCHEMBL5381140 0.71 FFAR1 (0.63) CYSLTR1GPBAR1CYSLTR2ALOX5
SCHEMBL1424251 0.70 CYSLTR1 (0.58) CYSLTR1GPBAR1CYSLTR2PDE10ALGALS3
SCHEMBL5110602 0.70 GPBAR1 (0.48) CYSLTR1GPBAR1CYSLTR2PDE10ACYP1A2
SCHEMBL187573 0.69 PDE10A (0.84) PDE10ALGALS3PDE4D
SCHEMBL9081199 0.68 CYSLTR1 (0.61) CYSLTR1GPBAR1CYSLTR2PDE10A
SCHEMBL725176 0.67 PDE10A (0.54) CYSLTR1GPBAR1CYSLTR2PDE10ACYP1A2

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 CYSLTR1 806/4885GPBAR1 252/4885CYSLTR2 1286/4885

“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.