SCHEMBL2223101

SCHEMBL2223101

CCN(Cc1ccc(CN2CCN(c3nccc(C(C)C)c3C(=O)O)CC2)cc1)Cc1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MLLT1 Q03111 1/20 0.35
CHRM4 P08173 1/20 0.35
NR1H4 Q96RI1 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FAAH O00519 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
HTR3A P46098 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) MEN1KMT2AMLLT1ALDH1A1SMN1; SMN2
SCHEMBL15656299 0.92 HRH3 (0.40) MEN1KMT2AMLLT1HRH3ALDH1A1
SCHEMBL2226055 0.91 HTR3E (0.41) MEN1KMT2AMLLT1HRH3MRGPRX1
SCHEMBL2225709 0.91 KDM4E (0.42) MEN1KMT2AMLLT1HRH3ALDH1A1
SCHEMBL2223713 0.91 SIGMAR1 (0.36) MEN1KMT2AMLLT1CHRM4FAAH
SCHEMBL14632724 0.90 MEN1 (0.40) MEN1KMT2AMLLT1HRH3MRGPRX1
Hydrochloric Acid SCHEMBL2224855 0.90 HTR3E (0.40) MEN1KMT2AMLLT1MRGPRX1ALDH1A1
SCHEMBL2222790 0.89 NPC1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2224687 0.88 ALDH1A1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14632732 0.87 ALDH1A1 (0.36) MEN1KMT2ACHRM4NR1H4ALDH1A1

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 MEN1 4275/4885KMT2A 2744/4885MLLT1 3677/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MEN1 3591/4885KMT2A 3151/4885MLLT1 3667/4885

“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.