SCHEMBL5452635

SCHEMBL5452635

Nc1cccc2c1CN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.46
EPHX2 P34913 4/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
CNR2 P34972 7/20 0.43
POLB P06746 1/20 0.40
CASR P41180 2/20 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
SCHEMBL5453570 0.93 DRD2 (0.41) CNR1EPHX2MTNR1AMTNR1BCNR2
SCHEMBL5454391 0.88 TACR1 (0.39) POLB
SCHEMBL5451806 0.87 CNR1 (0.56) CNR1EPHX2MTNR1AMTNR1BCNR2
SCHEMBL5447880 0.84 DRD2 (0.48) POLB
SCHEMBL5463285 0.84 MTNR1A (0.51) CNR1MTNR1AMTNR1BCNR2POLB
SCHEMBL5448619 0.82 KDM4E (0.47) CNR1EPHX2
SCHEMBL5446570 0.82 KDM4E (0.47) CNR1EPHX2MTNR1AMTNR1B
SCHEMBL5454530 0.79 DRD2 (0.58) CNR1POLB
SCHEMBL5454266 0.79 MEN1 (0.44) POLB
SCHEMBL5451346 0.79 MEN1 (0.44) POLB

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 CNR1 336/4885EPHX2 2396/4885MTNR1A 435/4885

“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.