SCHEMBL3590433

SCHEMBL3590433

O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(c2csc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 3/20 0.40
TRPC7 Q9HCX4 3/20 0.40
FAAH O00519 1/20 0.38
EIF4E P06730 1/20 0.37
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CCR2 P41597 3/20 0.36
CPT1A P50416 2/20 0.36
CPT2 P23786 1/20 0.36
MDM2 Q00987 1/20 0.36
RBP4 P02753 2/20 0.35
JAK3 P52333 2/20 0.35
PTK2 Q05397 2/20 0.35
JAK2 O60674 1/20 0.35
SCD5 Q86SK9 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3586297 0.93 ALDH1A1 (0.43) TRPC3TRPC7FAAHEIF4EKDM4E
SCHEMBL3580394 0.92 TRPC3 (0.44) TRPC3TRPC7FAAHKDM4ECPT1A
SCHEMBL3587927 0.91 ALDH1A1 (0.38) TRPC3TRPC7KDM4EHPGDHSD17B10
SCHEMBL2297608 0.87 CCR5 (0.43) KDM4EHPGDHSD17B10ALDH1A1CPT1A
SCHEMBL3591327 0.87 ENPP2 (0.41) TRPC3TRPC7FAAHKDM4EHPGD
SCHEMBL3634136 0.86 TRPC3 (0.34) TRPC3TRPC7FAAHKDM4EHPGD
SCHEMBL3593203 0.86 CPT1A (0.44) KDM4EHPGDHSD17B10ALDH1A1CPT1A
SCHEMBL3587938 0.85 GRIN2B (0.40) TRPC3TRPC7KDM4EHPGDHSD17B10
SCHEMBL3591383 0.85 ALDH1A1 (0.37) TRPC3TRPC7FAAHKDM4EHPGD
SCHEMBL3587524 0.84 MDM2 (0.39) TRPC3TRPC7KDM4EHPGDHSD17B10

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 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.