SCHEMBL13211534

SCHEMBL13211534

CN(C)C(=O)Cn1c(-c2ccc(F)cc2)c(C2CCCCC2)c2sc(C(=O)O)cc21

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
HRH1 P35367 2/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2B Q13224 6/20 0.36
GRIN1 Q05586 2/20 0.35
PTGDR Q13258 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
ENPP2 Q13822 3/20 0.33
MAPT P10636 2/20 0.33
PDE5A O76074 1/20 0.33
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL2997714 0.92 MAPT (0.38) CYP2D6HRH1KCNH2GRIN2BGRIN1
SCHEMBL2987937 0.91 CNR1 (0.35) CYP2D6HRH1KCNH2GRIN2BGRIN1
SCHEMBL13211504 0.90 GRIN2B (0.38) CYP2D6HRH1KCNH2GRIN2BGRIN1
SCHEMBL423330 0.89 GRIN1 (0.39) GRIN2BGRIN1PTGDR2
SCHEMBL2998266 0.89 GRIN1 (0.34) CYP2D6HRH1KCNH2GRIN2BGRIN1
SCHEMBL422945 0.88 CYP2D6 (0.38) CYP2D6HRH1KCNH2GRIN2BGRIN1
SCHEMBL2994234 0.85 SCN9A (0.38) CYP2D6HRH1KCNH2GRIN2BGRIN1
SCHEMBL2988868 0.85 ESR1 (0.39) CYP2D6HRH1KCNH2GRIN2BGRIN1
SCHEMBL2998700 0.85 GRIN2B (0.38) CYP2D6HRH1KCNH2GRIN2BGRIN1
SCHEMBL424912 0.85 NR4A2 (0.41) CYP2D6HRH1KCNH2GRIN2BGRIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-7781431-B2 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2010-08-24 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 US disclosed
US-20090036443-A1 Thienopyrroles as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2009-02-05 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-20090036443-A1 Thienopyrroles as antiviral agents ZC3HAV1, XDH, TPMT CYP2D6 231/4885HRH1 1772/4885KCNH2 3782/4885

“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.