SCHEMBL2222887

SCHEMBL2222887

CC(C)OC(=O)c1c(-c2ccccc2)ccnc1N1CCN(Cc2ccc(Oc3ccc(F)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
PRKAA2 P54646 1/20 0.42
ATM Q13315 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HBB P68871 1/20 0.41
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
CACNA1G O43497 1/20 0.39
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL15678973 0.94 LMNA (0.48) LMNAMAPTMEN1KMT2APRKAA2
SCHEMBL12517250 0.90 KMT2A (0.47) MAPTMEN1KMT2AATMCYP1A2
SCHEMBL2225300 0.89 ALDH1A1 (0.43) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL14554261 0.88 NPC1 (0.50) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL2223195 0.87 KDM4E (0.47) LMNAMEN1KMT2AKDM4EFAAH
SCHEMBL2222796 0.87 FAAH (0.48) LMNAMEN1KMT2AKDM4ECYP1A2
SCHEMBL14554259 0.85 KMT2A (0.46) LMNAMAPTMEN1KMT2ACYP1A2
SCHEMBL2222732 0.83 HTR7 (0.48) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL2222103 0.82 MEN1 (0.41) LMNAMAPTMEN1KMT2AATM
SCHEMBL2226124 0.82 MAPT (0.68) LMNAMAPTPRKAA2KDM4EFAAH

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 14 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
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-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
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

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 LMNA 611/4885MAPT 1880/4885MEN1 4275/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 LMNA 816/4885MAPT 2771/4885MEN1 3591/4885

“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.