SCHEMBL2221996

SCHEMBL2221996

CC(C)OC(=O)c1c(Nc2ccc(C#N)cc2)ccnc1N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HBB P68871 1/20 0.47
PRKAA2 P54646 4/20 0.44
FAAH O00519 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
GPR6 P46095 3/20 0.41
ATM Q13315 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR7 P34969 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
SCHEMBL2222338 0.91 MEN1 (0.47) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2224351 0.89 BCHE (0.46) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2222973 0.88 MAPT (0.51) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2223786 0.84 MAPT (0.49) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL27880488 0.83 PRKAA2 (0.44) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2222767 0.83 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2223049 0.83 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2221818 0.83 MEN1 (0.44) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2223966 0.82 CYP2C9 (0.44) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL2222923 0.81 DRD2 (0.46) MEN1KMT2ACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP claimed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US claimed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US claimed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO claimed
CN-102802627-A Voltage-gated sodium channel blockers GLAXO GROUP LTD 2012-11-28 CN claimed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP claimed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO claimed
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 EP disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 US disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed
CN-102802627-A Voltage-gated sodium channel blockers GLAXO GROUP LTD 2012-11-28 CN disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 WO disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 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 (2 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-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B MEN1 4275/4885KMT2A 2744/4885CYP1A2 1524/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MEN1 3591/4885KMT2A 3151/4885CYP1A2 1621/4885

“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.