SCHEMBL3595199

SCHEMBL3595199

CCn1cc(C)n(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)c(OC)c(C(C)(C)C)c4)n3)CC2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.34
GRIN2B Q13224 5/20 0.34
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
CPT2 P23786 2/20 0.31
CPT1A P50416 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
FPR2 P25090 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TRPC3 Q13507 1/20 0.30
TRPC7 Q9HCX4 1/20 0.30
CPT1B Q92523 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
SCHEMBL3585326 0.94 KDM4E (0.32) GRIN1GRIN2BKDM4EIRAK4CPT2
SCHEMBL3588834 0.91 GRIN1 (0.35) GRIN1GRIN2BLMNAKDM4EIRAK4
SCHEMBL3592264 0.88 CPT1A (0.33) GRIN1GRIN2BLMNAKDM4ECPT2
SCHEMBL13031285 0.85 GRIN1 (0.35) GRIN1GRIN2BLMNA
SCHEMBL3583234 0.84 CPT1A (0.35) GRIN1GRIN2BLMNAKDM4EIRAK4
SCHEMBL3581627 0.84 IRAK4 (0.33) GRIN1GRIN2BLMNAKDM4EIRAK4
SCHEMBL3576368 0.84 KDM4E (0.35) GRIN1GRIN2BKDM4ECPT2CPT1A
SCHEMBL3583149 0.83 IRAK4 (0.32) GRIN2BLMNAKDM4EIRAK4CPT2
SCHEMBL3589601 0.83 CPT1A (0.33) GRIN1GRIN2BIRAK4CPT2CPT1A
SCHEMBL3593480 0.83 CPT1A (0.35) KDM4ECPT2CPT1AGABRA1GABRG2

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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP 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 584/4885LMNA 4877/4885

“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.