SCHEMBL5467644

SCHEMBL5467644

COc1cccc2c1CN(CC(=O)n1c3ccccc3c3ccccc31)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
RAD52 P43351 1/20 0.50
HTT P42858 1/20 0.48
HTR1A P08908 4/20 0.47
HTR1D P28221 4/20 0.47
HTR1B P28222 4/20 0.47
HTR2A P28223 4/20 0.47
HTR2C P28335 4/20 0.47
HTR7 P34969 4/20 0.47
HTR2B P41595 4/20 0.47
HTR5A P47898 2/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD2 P14416 2/20 0.46
KCNH2 Q12809 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL5451078 0.81 TP53 (0.54) HTTDRD2HDAC1HDAC6KMT2A
SCHEMBL5753631 0.81 DRD2 (0.53) POLBDRD2HDAC1HDAC6TSHR
SCHEMBL5461335 0.80 DRD2 (0.52) POLBDRD2HDAC1HDAC6TSHR
SCHEMBL5460730 0.79 DRD2 (0.48) POLBHTR2AHTR7DRD2KMT2A
SCHEMBL5445274 0.78 DRD2 (0.44) DRD2HDAC1HDAC6KMT2A
SCHEMBL5458572 0.78 ALDH1A1 (0.54) DRD2TSHRKMT2A
SCHEMBL5451862 0.76 DRD2 (0.49) POLBDRD2HDAC1HDAC6KMT2A
SCHEMBL5447898 0.76 LMNA (0.56) KMT2A
SCHEMBL5454599 0.75 ALDH1A1 (0.46) HTTDRD2HDAC1HDAC6KMT2A
SCHEMBL5461488 0.75 MAPT (0.53) POLBHTTDRD2KMT2A

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 POLB 4466/4885RAD52 4417/4885HTT 1961/4885

“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.