SCHEMBL5458095

SCHEMBL5458095

O=C(CN(Cc1ccccc1)Cc1ccccc1)N1CCc2ccccc2C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
NLRP3 Q96P20 1/20 0.64
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
CASP1 P29466 1/20 0.60
ALDH1A1 P00352 4/20 0.59
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TAAR1 Q96RJ0 1/20 0.55
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 2/20 0.53
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
OXTR P30559 1/20 0.53
AVPR1A P37288 1/20 0.53
HDAC3 O15379 1/20 0.52

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
SCHEMBL25605335 0.81 NPC1 (0.78) KDM4EMEN1KMT2ANLRP3HSD17B10
SCHEMBL29569463 0.81 NPC1 (0.78) KDM4EMEN1KMT2ANLRP3HSD17B10
SCHEMBL5456195 0.79 KDM4E (0.60) KDM4EMEN1KMT2ANLRP3HSD17B10
SCHEMBL1545565 0.77 NPC1 (0.64) KDM4EMEN1KMT2ANLRP3HSD17B10
SCHEMBL30297726 0.77 NPC1 (0.64) KDM4EMEN1KMT2ANLRP3HSD17B10
SCHEMBL22784252 0.76 NOTUM (0.64) KDM4EMEN1KMT2ANLRP3HSD17B10
SCHEMBL8371372 0.75 SIGMAR1 (0.49) KMT2AALDH1A1POLBNPC1TSHR
SCHEMBL10399483 0.75 KDM4E (0.69) KDM4EMEN1KMT2ANLRP3HSD17B10
SCHEMBL6580790 0.75 HDAC3 (0.71) KDM4EMEN1KMT2ANLRP3HSD17B10
SCHEMBL5380082 0.75 HDAC3 (0.67) KDM4EMEN1KMT2ANLRP3HSD17B10

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 KDM4E 1446/4885MEN1 2444/4885KMT2A 2911/4885

“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.