SCHEMBL2222666

SCHEMBL2222666

CCCOc1ccc(CN(CC)[C@@H]2CCN(c3nccc(-c4ccccc4)c3C(=O)OC(C)C)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ACACB O00763 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
UBE2M P61081 4/20 0.34
DCUN1D1 Q96GG9 4/20 0.34
MAPT P10636 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MMP13 P45452 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
P2RY12 Q9H244 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 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
SCHEMBL2223311 0.95 ADRB3 (0.37) ADRB3ACACBKDM4EALDH1A1UBE2M
SCHEMBL2224947 0.93 CCR5 (0.38) ADRB3ACACBKDM4EALDH1A1UBE2M
SCHEMBL2224442 0.92 CFTR (0.39) ADRB3ACACBKDM4EALDH1A1UBE2M
SCHEMBL14649994 0.91 KDM4E (0.36) ADRB3ACACBKDM4EALDH1A1UBE2M
SCHEMBL15679901 0.91 KDM4E (0.36) ADRB3ACACBKDM4EALDH1A1UBE2M
SCHEMBL14632791 0.89 UBE2M (0.41) ACACBKDM4EALDH1A1UBE2MDCUN1D1
SCHEMBL2223035 0.88 ACACB (0.38) RXFP1ACACBHTR2AHTR2C
SCHEMBL2224421 0.87 PSMB5 (0.39) KDM4EALDH1A1
SCHEMBL2223642 0.87 UBE2M (0.39) ADRB3ACACBKDM4EALDH1A1UBE2M
SCHEMBL2224726 0.87 SLC6A9 (0.39) ADRB3ACACBKDM4EUBE2MDCUN1D1

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-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-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
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 ADRB3 224/4885RXFP1 3256/4885ACACB 2578/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 ADRB3 248/4885RXFP1 3201/4885ACACB 2553/4885

“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.