SCHEMBL824648

SCHEMBL824648

O=c1[nH]c(-c2ccccc2OC(F)(F)F)cc2ccc(N3CCCC(CO)C3)cc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
FFAR1 O14842 1/20 0.38
HCRTR1 O43613 8/20 0.36
HCRTR2 O43614 8/20 0.36
S1PR1 P21453 1/20 0.35
EPHX2 P34913 1/20 0.35
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
TYMP P19971 2/20 0.35
JAK2 O60674 1/20 0.34
SYK P43405 1/20 0.34

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
SCHEMBL824586 0.90 MGLL (0.41) MGLLFFAR1S1PR1
SCHEMBL824918 0.89 MGLL (0.40) MGLLFFAR1HCRTR1HCRTR2S1PR1
SCHEMBL824646 0.87 PIK3C3 (0.39) FFAR1RBP4TTRTYMPJAK2
SCHEMBL824580 0.85 S1PR1 (0.47) MGLLFFAR1S1PR1
SCHEMBL824661 0.85 MGLL (0.41) MGLLFFAR1
SCHEMBL824633 0.85 S1PR1 (0.48) MGLLFFAR1S1PR1
SCHEMBL824651 0.83 MGLL (0.44) MGLLFFAR1HCRTR1HCRTR2S1PR1
SCHEMBL824724 0.82 FFAR1 (0.39) MGLLFFAR1HCRTR1HCRTR2S1PR1
SCHEMBL824594 0.82 TYMP (0.43) TYMPJAK2SYK
SCHEMBL3544481 0.81 MAOA (0.45) MGLLFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
EP-1724262-B1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2012-05-02 EP disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-8143274-B2 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-03-27 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-20070185160-A1 1-(2H)-isoquinolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
EP-1724262-A1 1-(2H)-ISOQUINOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-11-22 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-20070185160-A1 1-(2H)-isoquinolone derivative NR3C2, NR1H4, NR3C1 MGLL 4624/4885FFAR1 452/4885HCRTR1 176/4885

“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.