SCHEMBL5460412

SCHEMBL5460412

CC(=O)Nc1ccc(C(CCNC(=O)CN2CCc3ccccc3C2)c2ccccc2)cc1NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 3/20 0.48
TAAR1 Q96RJ0 1/20 0.47
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 1/20 0.45
GFER P55789 1/20 0.45
THRB P10828 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
SCHEMBL5454530 0.87 DRD2 (0.58) POLBDRD2HTR2AKMT2AMEN1
SCHEMBL5461409 0.83 RAB9A (0.51) POLBDRD2HTR2AKMT2AMEN1
SCHEMBL5453708 0.81 POLB (0.55) POLBDRD2HTR2AKMT2AMEN1
SCHEMBL5456187 0.79 DRD2 (0.47) POLBDRD2HTR2AKMT2AMEN1
SCHEMBL5451806 0.79 CNR1 (0.56) DRD2HTR2A
SCHEMBL5446508 0.78 MTNR1B (0.53) POLBDRD2HTR2AKMT2AMEN1
SCHEMBL5455312 0.76 ALDH1A1 (0.58) POLBKMT2AMEN1L3MBTL1MAPT
SCHEMBL5456100 0.75 MEN1 (0.46) POLBDRD2HTR2AKMT2AMEN1
SCHEMBL5451891 0.74 MTNR1A (0.48) POLBDRD2HTR2AKMT2AMEN1
SCHEMBL5454399 0.73 CNR1 (0.58) POLBKMT2AMEN1PRMT5WDR77

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 4466/4885DRD2 1065/4885HTR2A 955/4885

“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.