SCHEMBL5113446

SCHEMBL5113446

CCCc1c[nH]nc1OCc1ccc2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.50
CYSLTR2 Q9NS75 7/20 0.50
GPBAR1 Q8TDU6 5/20 0.50
PDE10A Q9Y233 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALOX5 P09917 1/20 0.43

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
SCHEMBL5120063 0.74 CYSLTR1 (0.47) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL1424251 0.72 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL5120017 0.72 CYSLTR1 (0.46) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL725176 0.72 PDE10A (0.54) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL5110283 0.72 FFAR1 (0.47) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL30899711 0.71 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
Iodide SCHEMBL1343671 0.70 PDE10A (0.53) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL29047068 0.70 PDE10A (0.53) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL10544630 0.70 CYSLTR1 (0.84) CYSLTR1CYSLTR2GPBAR1PDE10ACYP1A2
SCHEMBL9847314 0.70 CYSLTR1 (0.58) CYSLTR1CYSLTR2GPBAR1PDE10A

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 806/4885CYSLTR2 1286/4885GPBAR1 252/4885

“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.