SCHEMBL12180295

SCHEMBL12180295

Cc1ccc(OC(C)C)c(C(N)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 6/20 0.62
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
MKNK1 Q9BUB5 5/20 0.45
MKNK2 Q9HBH9 5/20 0.45
PARP10 Q53GL7 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
ABCB1 P08183 1/20 0.42
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL27540094 0.88 IRAK4 (0.47) IRAK4IDO1TDO2PARP10ABCB1
SCHEMBL7861843 0.85 MEN1 (0.47) IRAK4
SCHEMBL17908023 0.84 CSNK2A1 (0.52) IRAK4IDO1TDO2KCNK3KCNK9
SCHEMBL11519811 0.83 IDO1 (0.49) IRAK4IDO1TDO2KCNK3KCNK9
SCHEMBL30739434 0.83 IRAK4 (0.62) IRAK4MKNK1MKNK2PARP10
SCHEMBL2190365 0.82 ACHE (0.59)
SCHEMBL16146937 0.81 IRAK4 (0.60) IRAK4MKNK1MKNK2PARP10
SCHEMBL28816647 0.81 IRAK4 (0.65) IRAK4MKNK1MKNK2PARP10KCNK3
SCHEMBL16950712 0.80 IDO1 (0.46) IRAK4IDO1TDO2KCNK3KCNK9
SCHEMBL2592066 0.80 IRAK4 (0.58) IRAK4MKNK1MKNK2PARP10

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
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 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 (3 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 IRAK4 3685/4885IDO1 3584/4885TDO2 4513/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 IRAK4 3685/4885IDO1 3584/4885TDO2 4513/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 IRAK4 3198/4885IDO1 2083/4885TDO2 2363/4885

“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.