SCHEMBL5446558

SCHEMBL5446558

COc1ccc2c(c1)CCCN(C(=O)S)C2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
DRD1 P21728 7/20 0.53
ABHD6 Q9BV23 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HSD17B10 Q99714 1/20 0.51
DRD5 P21918 6/20 0.50
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
DRD4 P21917 4/20 0.50
RYR2 Q92736 4/20 0.48
AKR1C3 P42330 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
NOTUM Q6P988 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
SCHEMBL7847325 0.83 ESR1 (0.85) ESR1ESR2DRD1ABHD6CA1
SCHEMBL5446563 0.82 DRD1 (0.54) ESR1ESR2DRD1ABHD6CA1
SCHEMBL807141 0.81 RYR2 (0.61) ESR1ESR2DRD1ABHD6CA1
SCHEMBL807139 0.78 RYR2 (0.62) ESR1ESR2DRD1ABHD6CA1
SCHEMBL986133 0.78 ESR1 (0.71) ESR1ESR2DRD1ABHD6CA1
SCHEMBL11295872 0.78 ESR1 (0.71) ESR1ESR2DRD1ABHD6CA1
SCHEMBL12549571 0.76 DRD1 (0.83) ESR1ESR2DRD1HSD17B10DRD5
SCHEMBL5523403 0.75 CA1 (0.80) ESR1ESR2ABHD6CA1CA2
SCHEMBL19537541 0.75 TMEM97 (0.59) ESR1ESR2DRD3DRD4NOTUM
SCHEMBL14590586 0.74 ESR1 (0.57) ESR1ESR2ABHD6CA1CA2

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 ESR1 4391/4885ESR2 3114/4885DRD1 1296/4885

“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.