SCHEMBL5456330

SCHEMBL5456330

CCC1COc2ccccc2N1C(=O)CN1CCc2cccc(OC)c2C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
DRD2 P14416 8/20 0.43
DRD4 P21917 8/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL5456346 0.89 ALDH1A1 (0.52) ALDH1A1DRD2DRD4
SCHEMBL5453468 0.88 LMNA (0.53) ALDH1A1DRD2DRD4POLBGAA
SCHEMBL5453534 0.87 KMT2A (0.45) ALDH1A1DRD2DRD4POLBGAA
SCHEMBL5451186 0.86 SMN1; SMN2 (0.46) ALDH1A1DRD2DRD4POLBGAA
SCHEMBL5453789 0.85 NPC1 (0.46) ALDH1A1DRD2DRD4GAAL3MBTL1
SCHEMBL5453866 0.84 SMN1; SMN2 (0.43) ALDH1A1DRD2DRD4
SCHEMBL5450007 0.84 DRD2 (0.45) ALDH1A1DRD2DRD4POLBGAA
SCHEMBL5456173 0.82 NPSR1 (0.43) ALDH1A1DRD2DRD4GAA
SCHEMBL5447846 0.82 LMNA (0.51) ALDH1A1DRD2DRD4GAAL3MBTL1
SCHEMBL5461488 0.81 MAPT (0.53) ALDH1A1DRD2DRD4POLB

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 ALDH1A1 489/4885DRD2 1065/4885DRD4 1408/4885

“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.