SCHEMBL5453670

SCHEMBL5453670

COc1cccc2c1CN(C(=O)CNCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
HCRTR2 O43614 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CPT2 P23786 1/20 0.42
CPT1A P50416 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 3/20 0.42
ABHD6 Q9BV23 2/20 0.42

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
SCHEMBL5451032 0.86 GRM7 (0.48) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL20460315 0.82 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2ANPC1TAAR1
SCHEMBL5449484 0.82 ALDH1A1 (0.62) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL5451561 0.81 KMT2A (0.46) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
Hydrochloric Acid SCHEMBL4228170 0.81 ALDH1A1 (0.61) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL5449544 0.80 KDM4E (0.46) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL20460377 0.78 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2ANPC1TAAR1
SCHEMBL5458119 0.77 MTNR1A (0.50) KMT2ANPC1TAAR1DPP8MTNR1A
SCHEMBL5449773 0.77 PRMT5 (0.49) ALDH1A1KDM4ETSHRKMT2AMEN1
SCHEMBL30641865 0.77 DRD2 (0.51) KDM4EHSD17B10KMT2ANPC1ABHD6

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 CYP2D6 2930/4885ALDH1A1 489/4885L3MBTL1 4144/4885

“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.