SCHEMBL2222917

SCHEMBL2222917

CCN(Cc1ccc(CN2CCN(c3nccc(C(C)C)c3C(=O)O)CC2)cc1)C(=O)c1c(F)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 1/20 0.36
OPRM1 P35372 6/20 0.36
OPRD1 P41143 5/20 0.36
KCNH2 Q12809 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
LPAR1 Q92633 2/20 0.34
LPAR5 Q9H1C0 2/20 0.34

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 SCHEMBL2221562 0.99 MRGPRX1 (0.36) MRGPRX1OPRM1OPRD1KCNH2TDP1
Water SCHEMBL2273702 0.85 ALDH1A1 (0.38) OPRM1TDP1POLBSIGMAR1
SCHEMBL2225709 0.84 KDM4E (0.42) OPRM1KCNH2TDP1SIGMAR1
SCHEMBL2223908 0.83 CXCR3 (0.42)
SCHEMBL2223101 0.83 MEN1 (0.36) MRGPRX1HTR1A
SCHEMBL2224687 0.83 ALDH1A1 (0.38) OPRM1TDP1POLBSIGMAR1
SCHEMBL2221685 0.81 MAPT (0.50) OPRM1OPRD1KCNH2TDP1POLB
SCHEMBL15656299 0.81 HRH3 (0.40) OPRM1POLBHTR1ASIGMAR1
SCHEMBL2222790 0.81 NPC1 (0.38) OPRM1TDP1POLBSIGMAR1
Hydrochloric Acid SCHEMBL2221555 0.81 MAPT (0.49) OPRM1OPRD1KCNH2TDP1POLB

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
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
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 MRGPRX1 693/4885OPRM1 570/4885OPRD1 561/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 MRGPRX1 577/4885OPRM1 637/4885OPRD1 688/4885

“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.