SCHEMBL3590698

SCHEMBL3590698

O=C1CC=CC=Nc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
GLRA3 O75311 2/20 0.31
BCHE P06276 1/20 0.31
CES1 P23141 1/20 0.31
GLRA1 P23415 1/20 0.30
MEN1 O00255 1/20 0.30
CDC25B P30305 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL31116 0.76 MEN1 (0.35) NOTUMBCHECES1MEN1CDC25B
Hydrochloric Acid SCHEMBL3646726 0.75 MEN1 (0.33) NOTUMBCHECES1MEN1CDC25B
Hydrochloric Acid SCHEMBL3397921 0.75 MEN1 (0.33) NOTUMBCHECES1MEN1CDC25B
Iodide SCHEMBL7508635 0.75 S100A4 (0.34) NOTUMGLRA3BCHECES1MEN1
Fluoride SCHEMBL4741377 0.75 MEN1 (0.33) NOTUMBCHECES1MEN1CDC25B
SCHEMBL1954384 0.72 TRPA1 (0.39) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL28036587 0.68 CES1 (0.34) NOTUMCES1
SCHEMBL670887 0.68
SCHEMBL30816755 0.67 MEN1 (0.33) BCHECES1MEN1CDC25BKMT2A
Hydrochloric Acid SCHEMBL4237662 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749992-B2 Compounds and methods for treating dislipidemia ELI LILLY AND COMPANY (US) 2010-07-06 US disclosed
EP-2098512-A1 Compounds and methods for treating dyslipidemia Eli Lilly & Company (US) 2009-09-09 EP disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
US-20070254869-A1 Compounds And Methods For Treating Dislipidemia ELI LILLY AND COMPANY (US) 2007-11-01 US disclosed
EP-1670768-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005037796-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2005-04-28 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-20070254869-A1 Compounds And Methods For Treating Dislipidemia APOB, CETP, PCSK9 NOTUM 303/4885GLRA3 1456/4885BCHE 857/4885

“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.