SCHEMBL342786

SCHEMBL342786

O=C(O)N1CC(CO)CC(C2CCCCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
HSD11B1 P28845 6/20 0.41
HSD11B2 P80365 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALOX5 P09917 1/20 0.30
POLB P06746 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL342785 1.00 NR1H2 (0.43) NR1H2HSD11B1HSD11B2ITGB3ITGA2B
SCHEMBL342787 1.00 NR1H2 (0.43) NR1H2HSD11B1HSD11B2ITGB3ITGA2B
SCHEMBL28699400 0.84 NR1H2 (0.56) NR1H2
SCHEMBL2201456 0.84 NR1H2 (0.56) NR1H2
SCHEMBL28485556 0.84 NR1H2 (0.56) NR1H2
SCHEMBL23933627 0.84 NR1H2 (0.56) NR1H2
SCHEMBL474868 0.81 HSD11B1 (0.37) NR1H2HSD11B1
SCHEMBL342926 0.78 NR1H2 (0.76) NR1H2
SCHEMBL10093469 0.78 NR1H2 (0.76) NR1H2
SCHEMBL342925 0.78 NR1H2 (0.76) NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
CN-102497863-A Novel aminopyridine derivatives having Aurora a selective inhibitory action MSD KK 2012-06-13 CN disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB NR1H2 3181/4885HSD11B1 1948/4885HSD11B2 1912/4885

“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.