SCHEMBL5454057

SCHEMBL5454057

COc1cc2c(cc1OC)CN(CCC(=O)NCCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 3/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.53
GFER P55789 1/20 0.53
MEN1 O00255 1/20 0.53
SIGMAR1 Q99720 4/20 0.52
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DRD1 P21728 1/20 0.50
DRD4 P21917 1/20 0.50
TMEM97 Q5BJF2 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
SCHEMBL5466197 0.86 MTNR1A (0.50) KDM4EDRD2DRD3DRD1DRD4
SCHEMBL5242061 0.81 KMT2A (0.53) KMT2A
SCHEMBL5276396 0.80 ADRA2A (0.52) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL5467877 0.80 CYP3A4 (0.46) KMT2ADRD2DRD3TSHRDRD4
SCHEMBL5447833 0.79 ALDH1A1 (0.65) ALDH1A1KDM4ELMNAMAPTKMT2A
SCHEMBL5454626 0.79 SIGMAR1 (0.58) ABCB1ABCG2ALDH1A1KDM4ELMNA
SCHEMBL5461247 0.78 SIGMAR1 (0.56) ABCB1ABCG2ALDH1A1KDM4ELMNA
SCHEMBL5446508 0.78 MTNR1B (0.53) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL5458343 0.77 SIGMAR1 (0.53) ABCB1ABCG2SIGMAR1DRD2DRD3
SCHEMBL5446570 0.77 KDM4E (0.47) ABCB1ABCG2KDM4ELMNAKMT2A

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 ABCB1 871/4885ABCG2 1639/4885ALDH1A1 489/4885

“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.