SCHEMBL5458346

SCHEMBL5458346

COc1cc2c(cc1OC)CN(CCN(S)C(=O)NCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 3/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 3/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HCRTR2 O43614 1/20 0.47
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46

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
SCHEMBL5447833 0.81 ALDH1A1 (0.65) KDM4EALDH1A1LMNATSHRHSD17B10
SCHEMBL5461247 0.80 SIGMAR1 (0.56) ABCB1ABCG2KDM4EALDH1A1LMNA
SCHEMBL5458343 0.79 SIGMAR1 (0.53) ABCB1ABCG2SIGMAR1DRD2DRD3
SCHEMBL5454057 0.76 ABCB1 (0.54) ABCB1ABCG2KDM4EALDH1A1LMNA
SCHEMBL5454626 0.75 SIGMAR1 (0.58) ABCB1ABCG2KDM4EALDH1A1LMNA
SCHEMBL5456116 0.72 DRD2 (0.50) HSD17B10SIGMAR1DRD2DRD3DRD4
SCHEMBL5461241 0.71 SIGMAR1 (0.53) ABCB1ABCG2KDM4EALDH1A1LMNA
SCHEMBL14721849 0.70 DRD3 (0.79) SIGMAR1DRD2DRD3DRD1DRD4
SCHEMBL2799283 0.70 MAPT (0.66) ABCB1ABCG2KDM4EALDH1A1LMNA
SCHEMBL13896162 0.69 ABCB1 (0.73) ABCB1ABCG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 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 (1 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A ABCB1 871/4885ABCG2 1639/4885KDM4E 1446/4885

“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.