SCHEMBL5453708

SCHEMBL5453708

COc1ccc(C(CCNC(=O)CN2CCc3ccccc3C2)c2ccc(OC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.55
HSD17B10 Q99714 1/20 0.55
PRMT5 O14744 2/20 0.54
WDR77 Q9BQA1 2/20 0.54
DRD2 P14416 2/20 0.53
HTR2A P28223 2/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HTR1A P08908 1/20 0.50
SLC6A4 P31645 1/20 0.50
HTR7 P34969 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 1/20 0.50
HTR2B P41595 1/20 0.50
CASR P41180 2/20 0.49
TNF P01375 1/20 0.48

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
SCHEMBL5454399 0.92 CNR1 (0.58) POLBHSD17B10PRMT5WDR77CNR1
SCHEMBL5446508 0.90 MTNR1B (0.53) POLBHSD17B10DRD2HTR2ACNR1
SCHEMBL5454530 0.89 DRD2 (0.58) POLBPRMT5WDR77DRD2HTR2A
SCHEMBL5449619 0.88 CNR1 (0.47) POLBHSD17B10PRMT5WDR77DRD2
SCHEMBL5451818 0.84 MTNR1A (0.52) PRMT5WDR77DRD2HTR2ACNR1
SCHEMBL5451891 0.84 MTNR1A (0.48) POLBPRMT5WDR77DRD2HTR2A
SCHEMBL5461409 0.83 RAB9A (0.51) POLBPRMT5WDR77DRD2HTR2A
SCHEMBL5460412 0.81 POLB (0.50) POLBPRMT5WDR77DRD2HTR2A
SCHEMBL5451806 0.81 CNR1 (0.56) DRD2HTR2ACNR1CNR2CASR
SCHEMBL12850777 0.79 MGAM (0.52) POLBHSD17B10PRMT5WDR77KMT2A

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 POLB 4466/4885HSD17B10 3457/4885PRMT5 3172/4885

“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.