SCHEMBL5458947

SCHEMBL5458947

COc1ccc2c(c1)CCCN(CC(=O)NCC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
DRD1 P21728 2/20 0.46
PRMT5 O14744 6/20 0.46
WDR77 Q9BQA1 5/20 0.46
GFER P55789 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MTNR1B P49286 2/20 0.43
MTNR1A P48039 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL5451818 0.90 MTNR1A (0.52) TMEM97SIGMAR1LMNAKDM4EALDH1A1
SCHEMBL5461437 0.87 KMT2A (0.55) TMEM97SIGMAR1LMNAKDM4EALDH1A1
SCHEMBL5447833 0.81 ALDH1A1 (0.65) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL5446508 0.80 MTNR1B (0.53) LMNAKDM4EALDH1A1KMT2AMEN1
SCHEMBL5455312 0.78 ALDH1A1 (0.58) KDM4EALDH1A1PRMT5WDR77KMT2A
SCHEMBL5453669 0.76 PRMT5 (0.47) KDM4EALDH1A1PRMT5WDR77KMT2A
SCHEMBL14385483 0.76 HSD17B10 (0.49) TMEM97SIGMAR1DRD1PRMT5WDR77
SCHEMBL5449773 0.76 PRMT5 (0.49) LMNAKDM4EALDH1A1PRMT5WDR77
SCHEMBL5459367 0.76 SIGMAR1 (0.53) TMEM97SIGMAR1LMNAKDM4EALDH1A1
SCHEMBL5453644 0.74 PRMT5 (0.45) LMNAKDM4EALDH1A1PRMT5WDR77

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 TMEM97 436/4885SIGMAR1 215/4885LMNA 1282/4885

“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.