SCHEMBL5454599

SCHEMBL5454599

COc1cccc2c1CN(CC(=O)N1Cc3ccccc3Oc3ccccc31)CC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 1/20 0.44
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL5445274 0.89 DRD2 (0.44) ALDH1A1KMT2ADRD2DRD4TP53
SCHEMBL5461488 0.86 MAPT (0.53) ALDH1A1KMT2ADRD2DRD4TP53
SCHEMBL5455428 0.81 DRD2 (0.47) ALDH1A1KMT2ADRD2DRD4HTT
SCHEMBL5451078 0.80 TP53 (0.54) ALDH1A1KMT2ADRD2TP53KDM4E
SCHEMBL5453456 0.80 DRD2 (0.40) ALDH1A1KMT2ADRD2DRD4HDAC1
SCHEMBL5460394 0.80 KMT2A (0.50) ALDH1A1KMT2ADRD2DRD4KDM4E
SCHEMBL5458663 0.79 P2RX4 (0.44) ALDH1A1DRD2DRD4TP53KDM4E
SCHEMBL5456346 0.78 ALDH1A1 (0.52) ALDH1A1KMT2ADRD2DRD4
SCHEMBL5448632 0.78 TP53 (0.40) ALDH1A1KMT2ATP53KDM4EHSD17B10
SCHEMBL5451758 0.78 ALDH1A1 (0.39) ALDH1A1KMT2ADRD2DRD4KDM4E

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 1 patent. 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

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 489/4885KMT2A 2911/4885DRD2 1065/4885

“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.