SCHEMBL5456545

SCHEMBL5456545

COc1cc2c(cc1OC)CN(CC(=O)N1c3ccccc3Sc3ccc(C(C)=O)cc31)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 3/20 0.47
USP2 O75604 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 3/20 0.47
HSD17B10 Q99714 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 2/20 0.46
NOX1 Q9Y5S8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 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
SCHEMBL5466400 0.92 ALDH1A1 (0.56) CYP3A4CYP2D6ALDH1A1USP2ALOX15
SCHEMBL5467983 0.89 CYP3A4 (0.48) CYP3A4CYP2D6ALDH1A1USP2ALOX15
SCHEMBL5451708 0.88 MEN1 (0.57) CYP3A4CYP2D6ALDH1A1USP2ALOX15
SCHEMBL5451064 0.86 MAPT (0.52) CYP3A4CYP2D6ALDH1A1USP2ALOX15
SCHEMBL5461510 0.86 MEN1 (0.64) CYP3A4CYP2D6ALDH1A1USP2ALOX15
SCHEMBL5241937 0.82 BCHE (0.44) CYP3A4CYP2D6ALDH1A1MAPTHSD17B10
SCHEMBL5278993 0.82 BCHE (0.45) CYP3A4CYP2D6ALDH1A1MAPTHSD17B10
SCHEMBL5468076 0.82 CYP3A4 (0.48) CYP3A4CYP2D6ALDH1A1USP2ALOX15
SCHEMBL5458572 0.78 ALDH1A1 (0.54) CYP3A4CYP2D6ALDH1A1USP2ALOX15
SCHEMBL5451057 0.77 MEN1 (0.55) CYP3A4CYP2D6ALDH1A1USP2ALOX15

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 CYP3A4 4095/4885CYP2D6 2930/4885ALDH1A1 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.