SCHEMBL967718

SCHEMBL967718

Cc1nn(C)c(-n2ccc3cc(C#N)ccc32)c1/C=C/C(=O)NS(=O)(=O)NCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 3/20 0.43
IRAK4 Q9NWZ3 3/20 0.34
KDM1A O60341 1/20 0.34
DRD2 P14416 7/20 0.33
DRD3 P35462 7/20 0.33
HTR1D P28221 4/20 0.33
HTR1B P28222 3/20 0.33
FFAR4 Q5NUL3 1/20 0.31
CDC7 O00311 1/20 0.31
CHRNA7 P36544 1/20 0.31
MCHR1 Q99705 1/20 0.31
EGLN2 Q96KS0 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
SCHEMBL967721 1.00 NPY5R (0.43) NPY5RIRAK4KDM1ADRD2DRD3
SCHEMBL964073 0.90 NPY5R (0.33) NPY5R
SCHEMBL964071 0.90 NPY5R (0.33) NPY5R
SCHEMBL962509 0.88 NPY5R (0.41) NPY5R
SCHEMBL962508 0.88 NPY5R (0.41) NPY5R
SCHEMBL965347 0.88 NPY5R (0.41) NPY5R
SCHEMBL965345 0.88 NPY5R (0.41) NPY5R
SCHEMBL27772698 0.88 NPY5R (0.38) NPY5RIRAK4KDM1ADRD2DRD3
SCHEMBL962196 0.87 CXCR2 (0.36) NPY5RIRAK4FFAR4CDC7
SCHEMBL962198 0.87 CXCR2 (0.36) NPY5RIRAK4FFAR4CDC7

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 NPY5R 1067/4885IRAK4 1821/4885KDM1A 1652/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG NPY5R 764/4885IRAK4 873/4885KDM1A 1871/4885

“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.