SCHEMBL13031380

SCHEMBL13031380

COc1c(C(C)(C)C)cc(-c2ncc(C3CCN(C(=O)CN4CCN(C)C4=O)CC3)s2)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.35
GRIN2B Q13224 7/20 0.35
PTGS2 P35354 2/20 0.35
PTGS1 P23219 1/20 0.35
PDE7A Q13946 1/20 0.33
NPY5R Q15761 1/20 0.33
LMNA P02545 1/20 0.32
ALK Q9UM73 2/20 0.31
SCN9A Q15858 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
P2RX3 P56373 2/20 0.31
P2RX2 Q9UBL9 2/20 0.31
TRPC6 Q9Y210 1/20 0.31
ROS1 P08922 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
SCHEMBL13031207 0.87 SCN9A (0.38) GRIN1GRIN2BALKSCN9ASCN10A
SCHEMBL13031454 0.86 PTGS2 (0.35) GRIN1GRIN2BPTGS2PTGS1NPY5R
SCHEMBL13031385 0.86 TLR9 (0.39) GRIN1GRIN2BPTGS2PTGS1NPY5R
SCHEMBL13031165 0.84 GRIN2B (0.37) GRIN1GRIN2BPTGS2PTGS1NPY5R
SCHEMBL3580754 0.84 GABRA1 (0.34) GRIN1GRIN2BPTGS2PTGS1PDE7A
SCHEMBL13031169 0.83 GRIN1 (0.38) GRIN1GRIN2BPTGS2PTGS1NPY5R
SCHEMBL13031140 0.83 PTGS2 (0.36) GRIN1GRIN2BPTGS2PTGS1NPY5R
SCHEMBL13031159 0.82 GRIN2B (0.35) GRIN1GRIN2BPTGS2PTGS1NPY5R
SCHEMBL13031205 0.82 GRIN2B (0.35) GRIN1GRIN2BPTGS2PTGS1NPY5R
SCHEMBL13031306 0.82 GRIN1 (0.46) GRIN1GRIN2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 GRIN1 571/4885GRIN2B 584/4885PTGS2 311/4885

“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.