SCHEMBL4618673

SCHEMBL4618673

CCOc1ccc(CN)c(OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.53
MELK Q14680 1/20 0.50
NQO1 P15559 1/20 0.48
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TP53 P04637 3/20 0.44
CYP3A4 P08684 2/20 0.44
ALDH1A1 P00352 5/20 0.42
MAPT P10636 4/20 0.42
HSD17B10 Q99714 4/20 0.42
MAPK1 P28482 2/20 0.42
ALOX15 P16050 1/20 0.42
BRCA1 P38398 1/20 0.42
HBB P68871 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 2/20 0.40

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
SCHEMBL9809277 0.89 APLNR (0.47) KDM4EMELKCYP3A4ALDH1A1MAPT
SCHEMBL701717 0.89 APLNR (0.47) KDM4EMELKNQO1TSHRTDP1
Hydrochloric Acid SCHEMBL2944977 0.87 MELK (0.46) KDM4EMELKNQO1TSHRTDP1
SCHEMBL5252024 0.84 NQO1 (0.52) KDM4ENQO1TSHRTDP1MEN1
SCHEMBL13990807 0.84 KDM4E (0.56) KDM4ENQO1TSHRTDP1MEN1
SCHEMBL16770699 0.81 KDM4E (0.49) KDM4ENQO1TSHRTDP1MEN1
SCHEMBL6784748 0.81 KDM4E (0.53) KDM4ENQO1TSHRTDP1MEN1
SCHEMBL7674855 0.81 KDM4E (0.53) KDM4ENQO1TSHRTDP1MEN1
SCHEMBL22273415 0.79 KLKB1 (0.49) NQO1TSHRTDP1MEN1KMT2A
SCHEMBL3110685 0.79 NQO1 (0.46) NQO1TSHRTDP1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940832-B1 NOVEL 1-AZA BICYCLOALKYL DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENERATIVE DISORDERS NOVARTIS AG (CH) 2011-12-07 EP disclosed
US-20080255135-A1 1-Aza-bicyclo[2.2.2]octane and 1-aza-bicyclo[2.2.1]heptane derivatives; psychotic, psychological, nervous system and neurodegenerative disorders; nicotinic receptor mediated diseases NOVARTIS AG (CH) 2008-10-16 US disclosed
EP-1940832-A1 NOVEL 1-AZA BICYCLOALKYL DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENERATIVE DISORDERS Novartis AG (CH) 2008-07-09 EP disclosed
WO-2007045478-A1 NOVEL 1-AZA BICYCLOALKYL DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC AND NEURODEGENERATIVE DISORDERS NOVARTIS AG (CH) 2007-04-26 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-20080255135-A1 1-Aza-bicyclo[2.2.2]octane and 1-aza-bicyclo[2.2.1]heptane derivatives; psychotic, psychological, nervous system and neurodegenerative disorders; nicotinic receptor mediated diseases CHRNA2, CHRNA10, CHRNA1 KDM4E 2771/4885MELK 2979/4885NQO1 2188/4885

“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.