SCHEMBL5451032

SCHEMBL5451032

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.48
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
HCRTR2 O43614 4/20 0.44
MEN1 O00255 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
HCRTR1 O43613 1/20 0.43
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
ABHD6 Q9BV23 2/20 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
SCHEMBL5453670 0.86 CYP2D6 (0.49) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL20460315 0.83 ALDH1A1 (0.55) ALDH1A1L3MBTL1KMT2ANPC1MEN1
SCHEMBL5448713 0.81 RAB9A (0.60) GRM7ALDH1A1L3MBTL1KDM4ETSHR
SCHEMBL5449544 0.81 KDM4E (0.46) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL5451561 0.80 KMT2A (0.46) ALDH1A1L3MBTL1KDM4ETSHRHSD17B10
SCHEMBL20460377 0.79 ALDH1A1 (0.53) ALDH1A1L3MBTL1KMT2ANPC1MEN1
SCHEMBL5458527 0.79 KMT2A (0.48) ALDH1A1KDM4EKMT2ANPC1MEN1
SCHEMBL5458119 0.78 MTNR1A (0.50) KMT2ANPC1MEN1TAAR1DPP8
SCHEMBL30641865 0.78 DRD2 (0.51) KDM4EHSD17B10KMT2ANPC1ABHD6
SCHEMBL5447851 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4EKMT2AMEN1

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 GRM7 330/4885ALDH1A1 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.