SCHEMBL6561786

SCHEMBL6561786

[NH]C(=O)CCC(OCc1ccccc1)c1ccc(CCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.52
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
FOLH1 Q04609 5/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TGM2 P21980 1/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
SLC1A3 P43003 1/20 0.43
SLC1A1 P43005 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6563173 0.94 HTT (0.48) HTTFOLH1LMNASMN1; SMN2TGM2
SCHEMBL6748819 0.80 HTT (0.72) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13895513 0.79 HTT (0.74) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7276818 0.77 HTT (0.67) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6715818 0.76 HTT (0.65) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10885850 0.75 HTT (0.68) HTTFOLH1LMNASMN1; SMN2TGM2
SCHEMBL6565064 0.75 HTT (0.63) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5463797 0.75 HTT (0.63) HTTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL917677 0.73 HTT (0.65) HTTLMNASMN1; SMN2TGM2KEAP1
SCHEMBL16808349 0.73 HTT (0.60) HTTCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296945-B1 SULFONAMIDE DERIVATIVES LILLY CO ELI (US) 2004-08-04 EP disclosed
US-6703425-B2 ADMINISTERING GLUTAMATE RECEPTOR POTENTIATOR TO TREAT PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY 2004-03-09 US disclosed
US-20030229102-A1 Sulfonamide derivatives ELI LILLY AND COMPANY 2003-12-11 US disclosed
EP-1296945-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2003-04-02 EP disclosed
WO-2001096289-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-12-20 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-20030229102-A1 Sulfonamide derivatives GRIN1, GRIN2A, SLC1A2 HTT 498/4885CHRNB2 584/4885CHRNB4 1001/4885

“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.