SCHEMBL3595230

SCHEMBL3595230

Cc1cn(CC(=O)N2CCC(c3csc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)n3)CC2)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.36
CPT1A P50416 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1B Q92523 1/20 0.33
GRIN2B Q13224 5/20 0.33
GRIN1 Q05586 2/20 0.33
IRAK4 Q9NWZ3 2/20 0.32
SHMT1 P34896 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
ADORA1 P30542 1/20 0.31
LMNA P02545 1/20 0.31
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
SCN9A Q15858 1/20 0.31
PIN1 Q13526 1/20 0.31
CCR5 P51681 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
SCHEMBL3581627 0.87 IRAK4 (0.33) CPT1ACPT2CPT1BGRIN2BGRIN1
SCHEMBL13031516 0.84 RORC (0.34) RORCGRIN2BGRIN1
SCHEMBL3582566 0.84 GRIN2B (0.33) RORCCPT1ACPT2CPT1BGRIN2B
SCHEMBL3581647 0.84 CXCR3 (0.36) RORCCPT1ACPT2CPT1BSHMT1
SCHEMBL3577015 0.84 CXCR3 (0.41) RORCLMNATLR9TLR8TLR7
SCHEMBL3575795 0.83 RORC (0.35) RORCCPT1ACPT2CPT1BGRIN2B
SCHEMBL3584160 0.83 RORC (0.38) RORCSHMT1TMIGD3ADORA1LMNA
SCHEMBL3589702 0.82 PTGS1 (0.38) RORC
SCHEMBL3583149 0.80 IRAK4 (0.32) CPT1ACPT2CPT1BGRIN2BIRAK4
SCHEMBL3592654 0.80 RORC (0.33) RORCSHMT1LMNATLR9TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES CORTEVA AGRISCIENCE LLC 2015-10-15 US claimed
US-8642634-B2 Fungicidal azocyclic amides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-02-04 US claimed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US claimed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP claimed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO 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 (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-20150291578-A1 FUNGICIDAL AZOCYCLIC AMIDES ARG1, NAT1, CHRM1 RORC 2345/4885CPT1A 1529/4885CPT2 3009/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 RORC 85/4885CPT1A 1947/4885CPT2 2552/4885

“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.