SCHEMBL2222662

SCHEMBL2222662

CC(C)OC(=O)c1cccnc1N(C)[C@H]1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 16/20 0.42
SLC6A4 P31645 16/20 0.42
SLC6A3 Q01959 7/20 0.41
KCNH2 Q12809 6/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
CYP2D6 P10635 2/20 0.39
OPRK1 P41145 1/20 0.39
CHEK2 O96017 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
SCHEMBL2223213 1.00 KMT2A (0.43) KMT2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL12516141 1.00 KMT2A (0.43) KMT2ASLC6A2SLC6A4SLC6A3KCNH2
Hydrochloric Acid SCHEMBL2222676 0.99 KMT2A (0.42) KMT2ASLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL8406937 0.80 MAP2K1 (0.42) SLC6A2SLC6A4KCNH2ADRA1DADRA1A
SCHEMBL27880543 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2LMNA
SCHEMBL27880522 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KCNH2LMNA
SCHEMBL12516846 0.74 DRD2 (0.60) KMT2ALMNAMAPTCYP2D6
SCHEMBL19831677 0.74 DRD2 (0.60) KMT2ALMNAMAPTCYP2D6
SCHEMBL13822282 0.74 USP30 (0.47)
SCHEMBL12516842 0.74 DRD2 (0.60) KMT2ALMNAMAPTCYP2D6

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 7 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 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
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

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 KMT2A 2744/4885SLC6A2 241/4885SLC6A4 295/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 KMT2A 3151/4885SLC6A2 242/4885SLC6A4 339/4885

“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.