SCHEMBL5451891

SCHEMBL5451891

COc1cccc2c1CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASR P41180 1/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 1/20 0.45
POLB P06746 1/20 0.45
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL5449619 0.94 CNR1 (0.47) MTNR1AMTNR1BKMT2AKDM4EALDH1A1
SCHEMBL5453861 0.94 DRD2 (0.48) MTNR1AMTNR1BKMT2AKDM4EALDH1A1
SCHEMBL5463285 0.91 MTNR1A (0.51) MTNR1AMTNR1BKMT2AKDM4EALDH1A1
SCHEMBL5466197 0.90 MTNR1A (0.50) MTNR1AMTNR1BKDM4EL3MBTL1CASR
SCHEMBL5449773 0.90 PRMT5 (0.49) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL5803509 0.87 S1PR5 (0.52) MTNR1AMTNR1BKMT2AKDM4EALDH1A1
SCHEMBL5447909 0.87 DRD2 (0.45) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL5456171 0.86 KMT2A (0.43) KMT2AKDM4EALDH1A1LMNAMEN1
SCHEMBL5448588 0.86 ADRA2A (0.46) MTNR1AMTNR1BKMT2AKDM4EALDH1A1
SCHEMBL5456077 0.86 HTR1A (0.45) KMT2AKDM4EALDH1A1LMNADRD2

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 388/4885KMT2A 2911/4885

“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.