SCHEMBL5451618

SCHEMBL5451618

O=C(CN1CCc2cc(O)ccc2C1)N1c2ccccc2Oc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
ALDH1A1 P00352 2/20 0.45
DRD2 P14416 4/20 0.44
DRD4 P21917 3/20 0.44
DRD3 P35462 3/20 0.44
DRD1 P21728 1/20 0.43
GAA P10253 2/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR2 Q92731 3/20 0.41
TP53 P04637 1/20 0.40
ESR1 P03372 2/20 0.40
CA9 Q16790 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL5451085 0.95 ALDH1A1 (0.45) LTA4HALDH1A1DRD2DRD4DRD3
SCHEMBL5453524 0.81 P2RX4 (0.50) ALDH1A1TP53
SCHEMBL5459349 0.80 TP53 (0.43) ALDH1A1DRD2DRD3DRD1GAA
SCHEMBL5460660 0.80 TP53 (0.43) ALDH1A1GAAPKMHSD17B10TP53
SCHEMBL5242431 0.78 ALDH1A1 (0.44) ALDH1A1DRD4DRD3DRD1TP53
SCHEMBL5460400 0.76 ALDH1A1 (0.43) ALDH1A1GAATP53
SCHEMBL5459188 0.76 ALDH1A1 (0.46) ALDH1A1GAATP53
SCHEMBL7798156 0.75 ITGB3 (0.54) DRD2DRD4DRD3DRD1ESR2
SCHEMBL9419617 0.75 ALDH1A1 (0.64) ALDH1A1GAAPKMTP53
SCHEMBL5453600 0.74 TP53 (0.40) ALDH1A1GAAPKMHSD17B10TP53

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 LTA4H 2020/4885ALDH1A1 489/4885DRD2 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.