SCHEMBL5454626

SCHEMBL5454626

COc1cc2c(cc1OC)CN(CCNC(=O)NC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.58
DRD2 P14416 1/20 0.58
DRD3 P35462 1/20 0.58
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
DRD4 P21917 1/20 0.53
ABCB1 P08183 2/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.52
TMEM97 Q5BJF2 1/20 0.51

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
SCHEMBL5461241 0.88 SIGMAR1 (0.53) SIGMAR1DRD2DRD3KDM4EALDH1A1
SCHEMBL5451785 0.86 POLB (0.52) SIGMAR1DRD2DRD3KDM4EALDH1A1
SCHEMBL5461247 0.81 SIGMAR1 (0.56) SIGMAR1DRD2DRD3KDM4EALDH1A1
SCHEMBL5458343 0.80 SIGMAR1 (0.53) SIGMAR1DRD2DRD3DRD4ABCB1
SCHEMBL5454057 0.79 ABCB1 (0.54) SIGMAR1DRD2DRD3KDM4EALDH1A1
SCHEMBL4042171 0.76 SIGMAR1 (0.71) SIGMAR1DRD2DRD3DRD4ABCB1
SCHEMBL4043245 0.76 SIGMAR1 (0.71) SIGMAR1DRD2DRD3DRD4ABCB1
SCHEMBL5447833 0.76 ALDH1A1 (0.65) KDM4EALDH1A1LMNAHSD17B10TSHR
SCHEMBL7169066 0.76 SIGMAR1 (0.64) SIGMAR1DRD2DRD3DRD4TMEM97
SCHEMBL14721849 0.75 DRD3 (0.79) SIGMAR1DRD2DRD3DRD4TMEM97

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 SIGMAR1 215/4885DRD2 1065/4885DRD3 1782/4885

“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.