SCHEMBL824586

SCHEMBL824586

O=c1[nH]c(-c2ccccc2OC(F)(F)F)cc2ccc(N3CCC(CO)CC3)cc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.41
FFAR1 O14842 1/20 0.40
CHRM2 P08172 6/20 0.38
CHRM1 P11229 5/20 0.37
HTR2C P28335 1/20 0.37
PDE7A Q13946 1/20 0.37
CHRM3 P20309 1/20 0.37
CHRM4 P08173 3/20 0.36
PLAT P00750 1/20 0.36
S1PR1 P21453 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL824651 0.90 MGLL (0.44) MGLLFFAR1PLATS1PR1POLB
SCHEMBL824648 0.90 MGLL (0.39) MGLLFFAR1S1PR1
SCHEMBL824580 0.86 S1PR1 (0.47) MGLLFFAR1S1PR1POLBNPSR1
SCHEMBL824661 0.86 MGLL (0.41) MGLLFFAR1
SCHEMBL824641 0.86 PIK3C3 (0.41) FFAR1HTR2CPDE7AS1PR1
SCHEMBL824633 0.86 S1PR1 (0.48) MGLLFFAR1S1PR1POLBNPSR1
SCHEMBL824582 0.84 CNR2 (0.45) MGLLFFAR1S1PR1POLBNPSR1
SCHEMBL824724 0.83 FFAR1 (0.39) MGLLFFAR1PLATS1PR1POLB
SCHEMBL824918 0.83 MGLL (0.40) MGLLFFAR1S1PR1
SCHEMBL3542832 0.82 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 452/4885CHRM2 450/4885

“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.