SCHEMBL3590376

SCHEMBL3590376

CCn1ccn(CC(=O)N2CCC(c3csc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.41
TRPC7 Q9HCX4 1/20 0.41
CPT1A P50416 4/20 0.39
CPT2 P23786 1/20 0.39
NTMT1 Q9BV86 1/20 0.38
P2RY14 Q15391 1/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PIM1 P11309 1/20 0.36
PIK3CD O00329 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
P2RX3 P56373 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAOB P27338 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TRPA1 O75762 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL3581033 0.93 TP53 (0.36) TRPC3TRPC7CPT1ACPT2NTMT1
SCHEMBL3588606 0.91 CPT1A (0.44) CPT1ACPT2
SCHEMBL3589486 0.90 GRIN2B (0.43) POLBTRPA1
SCHEMBL3591786 0.89 CPT1A (0.37) CPT1ACPT2NTMT1
SCHEMBL3581616 0.89 MAPK1 (0.41) LMNA
SCHEMBL3576053 0.89 PIN1 (0.43) CPT1ACPT2TP53LMNA
SCHEMBL3588339 0.88 GABRA1 (0.43) CPT1ACPT2POLB
SCHEMBL3575795 0.86 RORC (0.35) TRPC3TRPC7CPT1ACPT2LMNA
SCHEMBL3579063 0.84 GRIN2B (0.34) CPT1ALMNAPOLBEPHX2
SCHEMBL3587868 0.82 ALDH1A1 (0.44) CPT1ACPT2

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
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
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
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 TRPC3 176/4885TRPC7 350/4885CPT1A 1947/4885

“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.