SCHEMBL5449484

SCHEMBL5449484

O=C(CNCC(c1ccccc1)c1ccccc1)N1CCc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
TAAR1 Q96RJ0 1/20 0.62
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 1/20 0.58
MAPT P10636 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
DPP4 P27487 2/20 0.54
DPP8 Q6V1X1 2/20 0.54
DPP7 Q9UHL4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NLRP3 Q96P20 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HDAC3 O15379 1/20 0.50

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
Hydrochloric Acid SCHEMBL4228170 0.99 ALDH1A1 (0.61) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL5448560 0.87 KDM4E (0.67) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL4612404 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL5448713 0.83 RAB9A (0.60) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL5453670 0.82 CYP2D6 (0.49) ALDH1A1KDM4ETAAR1NPC1MEN1
SCHEMBL21514157 0.81 ALDH1A1 (0.64) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL3103829 0.75 DPP8 (0.68) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL5456195 0.74 KDM4E (0.60) ALDH1A1KDM4ERAB9ANPC1MEN1
SCHEMBL5460047 0.74 L3MBTL1 (0.62) ALDH1A1KDM4ETAAR1RAB9ANPC1
SCHEMBL22784252 0.74 NOTUM (0.64) ALDH1A1KDM4ETAAR1RAB9ANPC1

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 ALDH1A1 489/4885KDM4E 1446/4885TAAR1 414/4885

“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.