SCHEMBL2225709

SCHEMBL2225709

CCN(Cc1ccc(CN2CCN(c3nccc(C(C)C)c3C(=O)O)CC2)cc1)Cc1c(F)cccc1F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
SIGMAR1 Q99720 3/20 0.36
OPRM1 P35372 2/20 0.36
MLLT1 Q03111 1/20 0.35
ALDH1A1 P00352 5/20 0.35
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
GNRHR P30968 3/20 0.34
GPR6 P46095 1/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KCNH2 Q12809 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
Water SCHEMBL2273702 0.94 ALDH1A1 (0.38) KDM4ESIGMAR1OPRM1MLLT1ALDH1A1
SCHEMBL15656299 0.91 HRH3 (0.40) KDM4ESIGMAR1OPRM1MLLT1ALDH1A1
SCHEMBL2223101 0.91 MEN1 (0.36) KDM4EMLLT1ALDH1A1MEN1KMT2A
SCHEMBL2226055 0.90 HTR3E (0.41) KDM4ESIGMAR1OPRM1MLLT1ALDH1A1
SCHEMBL2222790 0.90 NPC1 (0.38) KDM4ESIGMAR1OPRM1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL2224855 0.90 HTR3E (0.40) KDM4ESIGMAR1OPRM1MLLT1ALDH1A1
SCHEMBL2224687 0.89 ALDH1A1 (0.38) KDM4ESIGMAR1OPRM1ALDH1A1MEN1
SCHEMBL14632732 0.88 ALDH1A1 (0.36) KDM4ESIGMAR1OPRM1ALDH1A1MEN1
SCHEMBL14632724 0.88 MEN1 (0.40) KDM4EMLLT1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL2225850 0.87 ALDH1A1 (0.35) KDM4ESIGMAR1OPRM1ALDH1A1MEN1

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 6 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

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 KDM4E 3172/4885SIGMAR1 1813/4885OPRM1 570/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 KDM4E 3267/4885SIGMAR1 1773/4885OPRM1 637/4885

“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.