SCHEMBL3580394

SCHEMBL3580394

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(c2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.44
TRPC7 Q9HCX4 2/20 0.44
FAAH O00519 1/20 0.42
MDM2 Q00987 1/20 0.41
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CPT1A P50416 3/20 0.38
CPT2 P23786 1/20 0.38
TP53 P04637 4/20 0.38
MAPT P10636 2/20 0.38
NTMT1 Q9BV86 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
ENPP2 Q13822 1/20 0.37
CETP P11597 1/20 0.37

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
SCHEMBL3590433 0.92 TRPC3 (0.40) TRPC3TRPC7FAAHMDM2LMNA
SCHEMBL3587938 0.91 GRIN2B (0.40) TRPC3TRPC7LMNACPT1ACPT2
SCHEMBL3586297 0.91 ALDH1A1 (0.43) TRPC3TRPC7FAAHMDM2LMNA
SCHEMBL3593203 0.90 CPT1A (0.44) CPT1ACPT2KDM4EENPP2
SCHEMBL2297608 0.90 CCR5 (0.43) LMNACPT1ACPT2TP53KDM4E
SCHEMBL3587524 0.88 MDM2 (0.39) TRPC3TRPC7MDM2LMNACPT1A
SCHEMBL3587433 0.88 TRPC3 (0.44) TRPC3TRPC7FAAHLMNAMAPT
SCHEMBL3590006 0.87 ENPP2 (0.43) TRPC3FAAHMDM2LMNAHTT
SCHEMBL3587927 0.85 ALDH1A1 (0.38) TRPC3TRPC7KDM4EENPP2
SCHEMBL3591327 0.84 ENPP2 (0.41) TRPC3TRPC7FAAHLMNAMAPT

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 3 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 disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US 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 350/4885FAAH 2194/4885

“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.