SCHEMBL967726

SCHEMBL967726

Cc1nn(C)c(-n2ccc3cc(Cl)ccc32)c1C1CC1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
AHR P35869 1/20 0.32
MAPK8 P45983 3/20 0.31
MAPK9 P45984 3/20 0.31
BRD4 O60885 1/20 0.31
MAPK10 P53779 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ROCK2 O75116 1/20 0.30
PIM1 P11309 1/20 0.30
PIM3 Q86V86 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRA6 Q16445 1/20 0.30
MCHR1 Q99705 1/20 0.30

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
SCHEMBL967727 1.00 GABRA1 (0.33) GABRA1GABRG2GABRB3GABRA5AHR
SCHEMBL4555074 0.96 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5
SCHEMBL4555073 0.88 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5
SCHEMBL961971 0.88 FFAR1 (0.35) AHRMAPK8MAPK9RXFP1ROCK2
SCHEMBL961973 0.88 FFAR1 (0.35) AHRMAPK8MAPK9RXFP1ROCK2
SCHEMBL966023 0.77 PPARG (0.38)
SCHEMBL966024 0.77 PPARG (0.38)
SCHEMBL965653 0.77 NPY5R (0.33) CNR1CNR2
SCHEMBL965655 0.77 NPY5R (0.33) CNR1CNR2
SCHEMBL966085 0.76 SMN1; SMN2 (0.41) GABRA1GABRG2GABRB3GABRA5MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (2 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 GABRA1 1121/4885GABRG2 423/4885GABRB3 624/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG GABRA1 166/4885GABRG2 100/4885GABRB3 133/4885

“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.