SCHEMBL963473

SCHEMBL963473

CCCCCS(=O)(=O)NC(=O)/C(C)=C/c1c(C)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.35
ENPP3 O14638 2/20 0.35
PPARG P37231 1/20 0.33
BRAF P15056 5/20 0.33
ENPP1 P22413 2/20 0.32
PARP1 P09874 1/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
SLC22A12 Q96S37 2/20 0.31
RBP4 P02753 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL963474 1.00 MTNR1A (0.35) MTNR1AENPP3PPARGBRAFENPP1
SCHEMBL966145 0.86 PPARG (0.38) MTNR1AENPP3PPARGBRAFENPP1
SCHEMBL963879 0.86 PPARG (0.38) MTNR1AENPP3PPARGBRAFENPP1
SCHEMBL966695 0.85 PPARG (0.37) MTNR1AENPP3PPARGBRAFENPP1
SCHEMBL966698 0.85 PPARG (0.37) MTNR1AENPP3PPARGBRAFENPP1
SCHEMBL964053 0.81 PPARG (0.38) MTNR1AENPP3PPARGBRAFSLC22A12
SCHEMBL964989 0.80 MTNR1A (0.39) MTNR1AENPP3PARP1SLC22A12L3MBTL1
SCHEMBL967688 0.80 PARP1 (0.40) MTNR1AENPP3BRAFENPP1PARP1
SCHEMBL967690 0.80 PARP1 (0.40) MTNR1AENPP3BRAFENPP1PARP1
SCHEMBL966983 0.79 MTNR1A (0.37) MTNR1AENPP3BRAFENPP1

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 MTNR1A 310/4885ENPP3 1924/4885PPARG 248/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MTNR1A 69/4885ENPP3 2208/4885PPARG 3/4885

“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.