SCHEMBL10212679

SCHEMBL10212679

CC(C)CN1CCN(c2ccnc(C(=O)CC=O)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SORD Q00796 14/20 0.40
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
OGA O60502 1/20 0.38

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
SCHEMBL10212801 0.87 HRH3 (0.45) SORDWNT1GSK3BDYRK1A
SCHEMBL509308 0.84 SORD (0.52) SORDWNT1GSK3BDYRK1AHRH4
SCHEMBL10211810 0.84 HRH4 (0.50) SORDHRH4
SCHEMBL510428 0.83 HRH4 (0.40) SORDWNT1GSK3BDYRK1AHRH4
SCHEMBL10214505 0.81 CXCR4 (0.44) SORD
SCHEMBL10214439 0.79 PIK3CA (0.46) SORDOGA
SCHEMBL509749 0.70 SORD (0.56) SORDHRH4
SCHEMBL509880 0.69 HRH3 (0.41) SORDWNT1GSK3BDYRK1AHRH4
SCHEMBL23916630 0.66 WNT1 (0.40) WNT1GSK3BDYRK1AHRH4
SCHEMBL4197090 0.66 HRH3 (0.46) SORDHRH4OGA

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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2012-02-02 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-20120028979-A1 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS TLR5, TLR2, PIR SORD 284/4885WNT1 4422/4885GSK3B 4208/4885

“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.