SCHEMBL5454514

SCHEMBL5454514

O=C(CNC(c1ccccc1)c1ccccc1)N1Cc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 2/20 0.58
DPP8 Q6V1X1 3/20 0.48
DPP9 Q86TI2 2/20 0.48
GLMN Q92990 1/20 0.47
DPP7 Q9UHL4 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
NOTUM Q6P988 1/20 0.43
HDAC8 Q9BY41 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
SCHEMBL5448713 0.90 RAB9A (0.60) GRM7DPP8DPP7NPC1RAB9A
SCHEMBL4271679 0.78 CACNA2D1 (0.65) NPC1MEN1KMT2AALDH1A1
SCHEMBL26095591 0.75 NOTUM (0.55) DPP8DPP9GLMNNPC1RAB9A
SCHEMBL5451032 0.75 GRM7 (0.48) GRM7DPP8NPC1MEN1KMT2A
SCHEMBL4213367 0.74 OPRL1 (0.48) GRM7
SCHEMBL2793715 0.74 GRM7 (0.58) GRM7RAB9AMEN1KMT2AALDH1A1
SCHEMBL4272736 0.74 CACNA2D1 (0.49) GRM7ALDH1A1
SCHEMBL2796613 0.73 ALDH1A1 (0.48) GRM7ALDH1A1TDP1
Hydrochloric Acid SCHEMBL4227670 0.73 GRM7 (0.97) GRM7MEN1KMT2AALDH1A1KDM4E
SCHEMBL4286091 0.72 CACNA2D1 (0.71) GRM7MEN1KMT2AALDH1A1KDM4E

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 GRM7 330/4885DPP8 2876/4885DPP9 1954/4885

“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.