SCHEMBL3587433

SCHEMBL3587433

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 1/20 0.44
TRPC7 Q9HCX4 1/20 0.44
ENPP2 Q13822 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCN9A Q15858 4/20 0.41
KCNH2 Q12809 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL2297608 0.92 CCR5 (0.43) ENPP2LMNASCN9A
SCHEMBL3591327 0.92 ENPP2 (0.41) TRPC3TRPC7ENPP2LMNAMAPT
SCHEMBL3587524 0.91 MDM2 (0.39) TRPC3TRPC7ENPP2LMNAMAPT
SCHEMBL3593203 0.91 CPT1A (0.44) ENPP2SCN9A
SCHEMBL3588590 0.90 L3MBTL1 (0.43) TRPC3TRPC7ENPP2LMNAMAPT
SCHEMBL3590006 0.89 ENPP2 (0.43) TRPC3ENPP2LMNAMAPTFAAH
SCHEMBL3580394 0.88 TRPC3 (0.44) TRPC3TRPC7ENPP2LMNAMAPT
SCHEMBL3587938 0.88 GRIN2B (0.40) TRPC3TRPC7ENPP2LMNA
SCHEMBL3583534 0.85 ALDH1A1 (0.40) NPSR1SCN9A
SCHEMBL3590433 0.84 TRPC3 (0.40) TRPC3TRPC7LMNAFAAH

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 2 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
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 350/4885ENPP2 262/4885

“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.