SCHEMBL6421049

SCHEMBL6421049

NC(=O)c1[c]cnc2[nH]c(=O)[nH]c12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 1/20 0.36
ACHE P22303 1/20 0.36
GDA Q9Y2T3 1/20 0.36
MAPT P10636 1/20 0.33

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
SCHEMBL2398078 0.70 SLC6A5 (0.44) SLC6A5ACHEGDAMAPT
SCHEMBL3869244 0.68 GRM5 (0.31)
SCHEMBL2842994 0.67 IKBKB (0.46)
SCHEMBL14999681 0.67 PDPK1 (0.37) GDA
SCHEMBL18785375 0.63 SLC6A5 (0.48) SLC6A5ACHEGDAMAPT
Xanthine SCHEMBL28383484 0.62 GDA (0.82) ACHEGDAMAPT
SCHEMBL29385750 0.61 ERAP1 (0.61) SLC6A5ACHEGDAMAPT
SCHEMBL48258 0.61 ERAP1 (0.61) SLC6A5ACHEGDAMAPT
Xanthine SCHEMBL28324466 0.60 GDA (0.77) ACHEGDAMAPT
SCHEMBL26779045 0.60 SLC6A5 (0.42) SLC6A5ACHEGDAMAPT

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-20050004133-A1 Modulators of VR1 receptor VERTEX PHARMACEUTICALS INCORPORATED 2005-01-06 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-20050004133-A1 Modulators of VR1 receptor TRPV1, TRPV2, TRPV3 SLC6A5 1049/4885ACHE 4285/4885GDA 4295/4885

“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.