SCHEMBL342925

SCHEMBL342925

CC(C)(C)OC(=O)N1C[C@@H](CO)C[C@@H](C2CCCCC2)C1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.76
EPHX1 P07099 1/20 0.43
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NAMPT P43490 1/20 0.39
PDE4B Q07343 1/20 0.39
BACE1 P56817 2/20 0.38
CTSD P07339 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
PREP P48147 1/20 0.37
GLS O94925 1/20 0.37

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
SCHEMBL342927 1.00 NR1H2 (0.76) NR1H2EPHX1HPGDMEN1ALDH1A1
SCHEMBL342926 1.00 NR1H2 (0.76) NR1H2EPHX1HPGDMEN1ALDH1A1
SCHEMBL10093469 1.00 NR1H2 (0.76) NR1H2EPHX1HPGDMEN1ALDH1A1
SCHEMBL372106 0.87 NR1H2 (1.00) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL903882 0.87 NR1H2 (1.00) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL23406722 0.87 NR1H2 (1.00) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL20031473 0.87 NR1H2 (1.00) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL2993190 0.87 NR1H2 (1.00) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL20936805 0.87 NR1H2 (1.00) NR1H2HPGDMEN1ALDH1A1MAPT
SCHEMBL6747273 0.86 NR1H2 (0.85) NR1H2HPGDMEN1ALDH1A1MAPT

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 2 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
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 3181/4885EPHX1 3138/4885HPGD 4089/4885

“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.