SCHEMBL3592264

SCHEMBL3592264

CCn1ccn(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 16)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 8/20 0.33
CPT2 P23786 4/20 0.33
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
KDM4E B2RXH2 3/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
FPR2 P25090 1/20 0.32
CPT1B Q92523 2/20 0.31
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL3593480 0.93 CPT1A (0.35) CPT1ACPT2KDM4EGABRA1GABRG2
SCHEMBL3576368 0.92 KDM4E (0.35) CPT1ACPT2GRIN1GRIN2BKDM4E
Potassium Ion SCHEMBL3579672 0.92 CPT1A (0.33) CPT1ACPT2GRIN1GRIN2BKDM4E
SCHEMBL3581098 0.92 CPT1A (0.33) CPT1ACPT2GRIN1GRIN2BKDM4E
SCHEMBL3585326 0.88 KDM4E (0.32) CPT1ACPT2GRIN1GRIN2BKDM4E
SCHEMBL3595199 0.88 GRIN1 (0.34) CPT1ACPT2GRIN1GRIN2BKDM4E
SCHEMBL3575795 0.87 RORC (0.35) CPT1ACPT2GRIN1GRIN2BCPT1B
SCHEMBL3576341 0.86 PDE4B (0.34) CPT1ACPT2KDM4EGABRA1GABRG2
SCHEMBL3581779 0.85 TLR9 (0.34) CPT1ACPT2GRIN2BGABRA1GABRG2
SCHEMBL3588046 0.85 ALK (0.34) CPT1ACPT2GRIN1GRIN2BGABRA1

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 1 patent. 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

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 CPT1A 1947/4885CPT2 2552/4885GRIN1 571/4885

“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.