SCHEMBL5450109

SCHEMBL5450109

CCOc1cccc2c1CN(CC(=O)NCCCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
PRMT5 O14744 4/20 0.45
WDR77 Q9BQA1 1/20 0.45
ACACB O00763 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
S1PR5 Q9H228 3/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.39
MAPK1 P28482 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
SCHEMBL5453861 0.91 DRD2 (0.48) MEN1KMT2ADRD2HTR2APRMT5
SCHEMBL5803509 0.87 S1PR5 (0.52) MEN1KMT2ADRD2HTR2APRMT5
SCHEMBL5451891 0.85 MTNR1A (0.48) MEN1KMT2ADRD2HTR2APRMT5
SCHEMBL5447880 0.84 DRD2 (0.48) MEN1KMT2ADRD2HTR2APRMT5
SCHEMBL5448588 0.83 ADRA2A (0.46) MEN1KMT2ADRD2HTR2APRMT5
SCHEMBL5456187 0.82 DRD2 (0.47) MEN1KMT2ADRD2HTR2APRMT5
SCHEMBL5451842 0.82 MTNR1A (0.44) MEN1KMT2ADRD2HTR2AACACB
SCHEMBL5455982 0.81 DRD2 (0.48) MEN1KMT2ADRD2HTR2APRMT5
SCHEMBL5449619 0.79 CNR1 (0.47) MEN1KMT2ADRD2PRMT5WDR77
SCHEMBL5456077 0.79 HTR1A (0.45) KMT2ADRD2HTR2AKDM4EALDH1A1

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 MEN1 2444/4885KMT2A 2911/4885DRD2 1065/4885

“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.