SCHEMBL2223966

SCHEMBL2223966

Cc1ccnc(N2CCN(Cc3ccc(C#N)cc3)CC2)c1C(=O)OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.44
CYP2D6 P10635 3/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
KMT2A Q03164 2/20 0.44
HBB P68871 1/20 0.44
GPR6 P46095 4/20 0.43
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 2/20 0.40
USP2 O75604 1/20 0.40
PRKAA2 P54646 1/20 0.40
FAAH O00519 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 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
SCHEMBL2224730 0.89 GPR6 (0.46) CYP2C9CYP2D6CYP2C19MEN1CYP1A2
SCHEMBL12517064 0.87 CCR5 (0.43) CYP2C9CYP2D6CYP2C19MEN1CYP1A2
SCHEMBL2224886 0.87 MEN1 (0.50) CYP2C9CYP2D6CYP2C19MEN1CYP1A2
SCHEMBL2222942 0.86 GPR6 (0.46) CYP2C9CYP2D6CYP2C19MEN1CYP1A2
SCHEMBL2225222 0.86 POLB (0.47) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2
SCHEMBL2223740 0.85 CCR5 (0.47) CYP2C9CYP2D6CYP2C19MEN1KMT2A
SCHEMBL2222490 0.85 MEN1 (0.39) CYP2C9CYP2D6CYP2C19MEN1CYP1A2
SCHEMBL2222816 0.85 CCR5 (0.46) CYP2C9CYP2D6CYP2C19MEN1CYP1A2
SCHEMBL2223112 0.84 KDM4E (0.47) MEN1KMT2AALDH1A1HSD17B10TSHR
SCHEMBL14484920 0.83 TNKS (0.44) CYP2C9CYP2D6CYP2C19MEN1CYP1A2

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 18 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

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 CYP2C9 1771/4885CYP2D6 2199/4885CYP2C19 2505/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 CYP2C9 1851/4885CYP2D6 2061/4885CYP2C19 2241/4885

“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.