SCHEMBL5453468

SCHEMBL5453468

COc1cccc2c1CN(CC(=O)N1c3ccccc3OCC1c1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
HTT P42858 1/20 0.45
DRD2 P14416 3/20 0.42
MAPT P10636 1/20 0.41
DRD4 P21917 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2D6 P10635 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38

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 0.95 SMN1; SMN2 (0.46) LMNASMN1; SMN2NPC1TP53HPGD
SCHEMBL5453789 0.94 NPC1 (0.46) LMNASMN1; SMN2NPC1TP53HPGD
SCHEMBL5453866 0.91 SMN1; SMN2 (0.43) LMNASMN1; SMN2NPC1TP53HPGD
SCHEMBL5447846 0.91 LMNA (0.51) LMNASMN1; SMN2NPC1TP53HPGD
SCHEMBL5456173 0.91 NPSR1 (0.43) LMNASMN1; SMN2NPC1TP53HPGD
SCHEMBL5456346 0.89 ALDH1A1 (0.52) ALDH1A1DRD2DRD4KMT2A
SCHEMBL5456330 0.88 ALDH1A1 (0.46) ALDH1A1GAADRD2DRD4L3MBTL1
SCHEMBL5450007 0.87 DRD2 (0.45) SMN1; SMN2HPGDALDH1A1GAADRD2
SCHEMBL5456228 0.87 HPGD (0.56) LMNASMN1; SMN2NPC1TP53HPGD
SCHEMBL5453534 0.87 KMT2A (0.45) NPSR1ALDH1A1GAADRD2DRD4

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 LMNA 1282/4885SMN1; SMN2 76/4885NPC1 608/4885

“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.