SCHEMBL5451806

SCHEMBL5451806

O=C(CN1Cc2ccccc2C1)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.56
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
EPHX2 P34913 4/20 0.52
CNR2 P34972 8/20 0.51
CASR P41180 2/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
NAMPT P43490 1/20 0.46

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
SCHEMBL5454530 0.91 DRD2 (0.58) CNR1DRD2HTR2A
SCHEMBL5454399 0.88 CNR1 (0.58) CNR1MTNR1AMTNR1BCNR2CASR
SCHEMBL5452635 0.87 CNR1 (0.46) CNR1MTNR1AMTNR1BEPHX2CNR2
SCHEMBL5453669 0.85 PRMT5 (0.47)
SCHEMBL5463285 0.84 MTNR1A (0.51) CNR1MTNR1AMTNR1BCNR2CASR
SCHEMBL14530812 0.83 EPHX2 (0.63) CNR1MTNR1AMTNR1BEPHX2CNR2
SCHEMBL926546 0.81 CNR1 (0.54) CNR1MTNR1AMTNR1BEPHX2CNR2
SCHEMBL5453708 0.81 POLB (0.55) CNR1CNR2CASRDRD2HTR2A
SCHEMBL5461409 0.81 RAB9A (0.51) MTNR1AMTNR1BDRD2HTR2A
SCHEMBL5456100 0.80 MEN1 (0.46) CNR1MTNR1AMTNR1BEPHX2CNR2

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 1 patent. 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

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 336/4885MTNR1A 435/4885MTNR1B 388/4885

“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.