SCHEMBL3846914

SCHEMBL3846914

O=C(O)N1CCC(CNc2ncc3[nH]c(=O)n(Cc4cc(Br)ccc4OC(F)(F)F)c3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.42
ADRA2A P08913 12/20 0.42
NPY5R Q15761 10/20 0.42
DDR1 Q08345 2/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
EPHX2 P34913 2/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL13608053 0.94 MCHR1 (0.40) MCHR1ADRA2ANPY5RDDR1IDO1
SCHEMBL13608056 0.91 IDO1 (0.46) MCHR1ADRA2ANPY5RIDO1TDO2
SCHEMBL3847751 0.90 MCHR1 (0.37) MCHR1ADRA2ANPY5RDDR1EPHX2
SCHEMBL13620270 0.90 MCHR1 (0.43) MCHR1ADRA2ANPY5RDDR1
SCHEMBL13620211 0.88 MCHR1 (0.41) MCHR1ADRA2ANPY5RDDR1DRD2
SCHEMBL13620258 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RDDR1
SCHEMBL13620375 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RDDR1EPHX2
SCHEMBL13620269 0.88 MCHR1 (0.46) MCHR1ADRA2ANPY5RDDR1
SCHEMBL3844885 0.87 USP1 (0.36) DDR1IDO1TDO2DRD2DRD4
SCHEMBL13620385 0.86 MCHR1 (0.44) MCHR1ADRA2ANPY5RDDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ MCHR1 3804/4885ADRA2A 461/4885NPY5R 3514/4885

“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.