SCHEMBL2223908

SCHEMBL2223908

CC(C)c1ccnc(N2CCN(Cc3ccc(CNC(=O)c4c(F)cccc4Cl)cc3)CC2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 3/20 0.42
ALDH2 P05091 1/20 0.41
P2RX7 Q99572 9/20 0.40
TRPA1 O75762 1/20 0.40
HPGD P15428 1/20 0.40
S1PR3 Q99500 1/20 0.40
KMT2A Q03164 1/20 0.39
ATM Q13315 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
Hydrochloric Acid SCHEMBL2221887 0.88 TRPA1 (0.48) CXCR3TRPA1S1PR3KMT2A
SCHEMBL2225703 0.87 RAB9A (0.39) KMT2A
Hydrochloric Acid SCHEMBL2223181 0.86 NPC1 (0.38) KMT2A
SCHEMBL2222917 0.83 MRGPRX1 (0.36)
Hydrochloric Acid SCHEMBL2221562 0.83 MRGPRX1 (0.36)
SCHEMBL2222350 0.82 MEN1 (0.46) KMT2AATM
SCHEMBL2221587 0.82 HTR3E (0.42) KMT2AATM
SCHEMBL14484995 0.82 TDP1 (0.40) KMT2AATM
SCHEMBL2221956 0.81 MAPT (0.52) CXCR3ALDH2P2RX7TRPA1
SCHEMBL2223374 0.80 TRPA1 (0.37) TRPA1

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 8 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

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 CXCR3 1195/4885ALDH2 1610/4885P2RX7 231/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 CXCR3 1528/4885ALDH2 1555/4885P2RX7 271/4885

“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.