SCHEMBL3583166

SCHEMBL3583166

O=C(Cn1cnc2cnccc21)N1CCC(c2csc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 11/20 0.40
CXCR3 P49682 2/20 0.38
CYP2C9 P11712 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
MC4R P32245 1/20 0.36
CPT1A P50416 4/20 0.36
CPT2 P23786 1/20 0.36
CPT1B Q92523 1/20 0.35
F2 P00734 1/20 0.35

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
SCHEMBL3587345 0.94 GRIN2B (0.42) GRIN2BCXCR3CYP2C9GRIN1KCNH2
SCHEMBL3583159 0.92 CXCR3 (0.38) GRIN2BCXCR3CPT1ACPT2CPT1B
SCHEMBL13031576 0.86 GRIN2B (0.42) GRIN2BCXCR3CYP2C9GRIN1KCNH2
SCHEMBL3579798 0.86 CXCR3 (0.37) GRIN2BCXCR3CPT1ACPT2CPT1B
SCHEMBL3579769 0.86 CXCR3 (0.38) GRIN2BCXCR3CPT1ACPT1BF2
SCHEMBL3581026 0.86 GRIN2B (0.38) GRIN2BGRIN1CPT1ACPT2
SCHEMBL3584366 0.85 CXCR3 (0.50) CXCR3KCNH2
SCHEMBL13031570 0.80 GRIN2B (0.43) GRIN2BCYP2C9GRIN1KCNH2MC4R
SCHEMBL3587544 0.80 CXCR3 (0.37) GRIN2BCXCR3CPT1ACPT1BF2
SCHEMBL13031274 0.78 CXCR3 (0.37) GRIN2BCXCR3GRIN1MC4RF2

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 6 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
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 (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 GRIN2B 584/4885CXCR3 1/4885CYP2C9 1150/4885

“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.