SCHEMBL5450007

SCHEMBL5450007

COc1ccc(OC)c(C2COc3ccccc3N2C(=O)CN2CCc3cccc(OC)c3C2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DRD4 P21917 5/20 0.45
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5451186 0.89 SMN1; SMN2 (0.46) DRD2DRD4ALDH1A1MAPTHPGD
SCHEMBL5453866 0.88 SMN1; SMN2 (0.43) DRD2DRD4ALDH1A1MAPTHPGD
SCHEMBL5453468 0.87 LMNA (0.53) DRD2DRD4ALDH1A1MAPTHPGD
SCHEMBL5456346 0.85 ALDH1A1 (0.52) DRD2DRD4ALDH1A1KMT2AMEN1
SCHEMBL5453789 0.85 NPC1 (0.46) DRD2DRD4ALDH1A1HPGDKMT2A
SCHEMBL5456330 0.84 ALDH1A1 (0.46) DRD2DRD4ALDH1A1POLBGAA
SCHEMBL5453534 0.83 KMT2A (0.45) DRD2DRD4ALDH1A1KMT2APOLB
SCHEMBL5456173 0.82 NPSR1 (0.43) DRD2DRD4ALDH1A1MAPTHPGD
SCHEMBL5447846 0.79 LMNA (0.51) DRD2DRD4ALDH1A1MAPTHPGD
SCHEMBL5461488 0.77 MAPT (0.53) DRD2DRD4ALDH1A1MAPTHPGD

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

“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.