SCHEMBL5451842

SCHEMBL5451842

COc1cccc2c1CN(CC(=O)NCCCC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACACB O00763 2/20 0.41
CASR P41180 1/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 1/20 0.41
LMNA P02545 1/20 0.40
NAMPT P43490 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DRD3 P35462 2/20 0.39
ADRA1A P35348 1/20 0.39
ABHD6 Q9BV23 1/20 0.39

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
SCHEMBL5463285 0.94 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL5453861 0.91 DRD2 (0.48) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL5453644 0.87 PRMT5 (0.45) KDM4EALDH1A1SMN1; SMN2ACACBLMNA
SCHEMBL5451891 0.85 MTNR1A (0.48) MTNR1AMTNR1BKDM4EALDH1A1CASR
SCHEMBL5453570 0.84 DRD2 (0.41) MTNR1AMTNR1BKDM4EALDH1A1SMN1; SMN2
SCHEMBL5450017 0.83 KMT2A (0.52) KDM4EALDH1A1SMN1; SMN2ACACBLMNA
SCHEMBL5450109 0.82 MEN1 (0.52) KDM4EALDH1A1ACACBDRD2HTR2A
SCHEMBL5449619 0.79 CNR1 (0.47) MTNR1AMTNR1BKDM4EALDH1A1ACACB
SCHEMBL5456077 0.79 HTR1A (0.45) KDM4EALDH1A1SMN1; SMN2DRD2HTR2A
SCHEMBL5454399 0.78 CNR1 (0.58) MTNR1AMTNR1BALDH1A1CASRLMNA

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 MTNR1A 435/4885MTNR1B 388/4885KDM4E 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.