SCHEMBL14554267

SCHEMBL14554267

CCOc1cc(CN2CCN(c3ncccc3C(=O)OC(C)C)CC2)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 5/20 0.51
LMNA P02545 4/20 0.51
MAPK1 P28482 3/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL2226472 0.97 KDM4E (0.55) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2225650 0.94 MAPT (0.55) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2222446 0.92 KDM4E (0.61) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2222936 0.92 MEN1 (0.57) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2224403 0.92 MAPT (0.54) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2222641 0.90 MAPT (0.51) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2224255 0.89 KDM4E (0.55) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2223860 0.87 KDM4E (0.50) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2224910 0.86 KDM4E (0.56) MAPTKDM4ELMNAMAPK1TSHR
SCHEMBL2226190 0.86 MAPT (0.60) MAPTKDM4ELMNAMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 MAPT 1880/4885KDM4E 3172/4885LMNA 611/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MAPT 2771/4885KDM4E 3267/4885LMNA 816/4885

“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.