SCHEMBL5459367

SCHEMBL5459367

COc1ccc2c(c1)CCCN(CC(=O)N(Cc1ccccc1)Cc1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
TMEM97 Q5BJF2 2/20 0.53
DRD1 P21728 4/20 0.47
HRH3 Q9Y5N1 1/20 0.46
AKR1C3 P42330 1/20 0.45
DRD4 P21917 4/20 0.45
DRD3 P35462 4/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
CHRM3 P20309 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2C P28335 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 2/20 0.45
DRD2 P14416 3/20 0.45
DRD5 P21918 3/20 0.45
OPRM1 P35372 1/20 0.44

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
SCHEMBL5466340 0.89 KCNH2 (0.51) SIGMAR1TMEM97AKR1C3DRD4DRD3
SCHEMBL5463370 0.82 KCNH2 (0.47) DRD3HTR1AHTR2BDRD2OPRD1
SCHEMBL5451818 0.78 MTNR1A (0.52) SIGMAR1TMEM97DRD1AKR1C3DRD2
SCHEMBL14385483 0.77 HSD17B10 (0.49) SIGMAR1TMEM97DRD1AKR1C3DRD4
SCHEMBL5461318 0.77 MEN1 (0.55) DRD3HTR1AHTR2BDRD2KDM4E
SCHEMBL5461437 0.76 KMT2A (0.55) SIGMAR1TMEM97DRD1AKR1C3KDM4E
SCHEMBL5458947 0.76 TMEM97 (0.47) SIGMAR1TMEM97DRD1DRD4DRD3
SCHEMBL7799385 0.75 ITGB3 (0.58) DRD1DRD3DRD2DRD5
SCHEMBL5446347 0.74 DRD2 (0.48) SIGMAR1HTR1ADRD2KDM4EALDH1A1
SCHEMBL25259732 0.73 TSPO (0.54) SIGMAR1TSHRDRD2KDM4EALDH1A1

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 215/4885TMEM97 436/4885DRD1 1296/4885

“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.