SCHEMBL2222350

SCHEMBL2222350

CC(C)c1ccnc(N2CCN(Cc3ccc(CNCc4ccccc4F)cc3)CC2)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 1/20 0.41
SIGMAR1 Q99720 3/20 0.40
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
HSD11B1 P28845 1/20 0.38
ATM Q13315 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL2225703 0.87 RAB9A (0.39) MEN1KMT2AALDH1A1SIGMAR1ACHE
Hydrochloric Acid SCHEMBL2223181 0.87 NPC1 (0.38) MEN1KMT2AALDH1A1SIGMAR1ACHE
SCHEMBL2223374 0.85 TRPA1 (0.37) ALDH1A1POLBHTTACHEHSD11B1
Hydrochloric Acid SCHEMBL2221887 0.85 TRPA1 (0.48) KMT2A
SCHEMBL2221587 0.84 HTR3E (0.42) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL2223908 0.82 CXCR3 (0.42) KMT2AATM
Hydrochloric Acid SCHEMBL2222910 0.81 HTR3E (0.44) MEN1KMT2AKDM4EALDH1A1ACHE
SCHEMBL14632831 0.80 MEN1 (0.41) MEN1KMT2AKDM4EALDH1A1POLB
Hydrochloric Acid SCHEMBL14485309 0.80 HTR3E (0.43) MEN1KMT2AKDM4EALDH1A1HSD11B1
SCHEMBL2226347 0.80 GPR183 (0.37) MEN1KMT2AKDM4EALDH1A1HTT

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 10 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
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
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 MEN1 4275/4885KMT2A 2744/4885KDM4E 3172/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MEN1 3591/4885KMT2A 3151/4885KDM4E 3267/4885

“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.