SCHEMBL5453789

SCHEMBL5453789

COc1cccc2c1CN(CC(=O)N1c3ccccc3OCC1c1ccc(F)cc1)CC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 1/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RIPK1 Q13546 1/20 0.37

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
SCHEMBL5451186 0.94 SMN1; SMN2 (0.46) NPC1LMNATP53HPGDRAB9A
SCHEMBL5453468 0.94 LMNA (0.53) NPC1LMNATP53HPGDRAB9A
SCHEMBL5453866 0.91 SMN1; SMN2 (0.43) NPC1LMNATP53HPGDRAB9A
SCHEMBL5456173 0.90 NPSR1 (0.43) NPC1LMNATP53HPGDRAB9A
SCHEMBL5456346 0.87 ALDH1A1 (0.52) KMT2AALDH1A1MEN1DRD2DRD4
SCHEMBL5447846 0.85 LMNA (0.51) NPC1LMNATP53HPGDRAB9A
SCHEMBL5456330 0.85 ALDH1A1 (0.46) ALDH1A1DRD2DRD4L3MBTL1GAA
SCHEMBL5450007 0.85 DRD2 (0.45) HPGDSMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL5453534 0.84 KMT2A (0.45) NPSR1KMT2AALDH1A1MEN1DRD2
SCHEMBL5456228 0.81 HPGD (0.56) NPC1LMNATP53HPGDRAB9A

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 NPC1 608/4885LMNA 1282/4885TP53 4865/4885

“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.