SCHEMBL2452875

SCHEMBL2452875

BrC/C=C/c1ccc2c(c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPT P10636 4/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
CYP3A4 P08684 1/20 0.47
ATM Q13315 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CXCL12 P48061 1/20 0.46
CYP19A1 P11511 1/20 0.45
DYRK1A Q13627 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
MAOB P27338 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GSK3B P49841 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 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
SCHEMBL2452879 1.00 KDM4E (0.54) KDM4EMAPTRAB9ANPC1CYP3A4
SCHEMBL8152971 0.89 CYP3A4 (0.61) KDM4ERAB9ANPC1CYP3A4ATM
SCHEMBL8152968 0.89 CYP3A4 (0.61) KDM4ERAB9ANPC1CYP3A4ATM
SCHEMBL11488914 0.82 KDM4E (0.54) KDM4EMAPTRAB9ANPC1CYP3A4
SCHEMBL11488915 0.82 KDM4E (0.54) KDM4EMAPTRAB9ANPC1CYP3A4
SCHEMBL11492405 0.82 KDM4E (0.54) KDM4EMAPTRAB9ANPC1CYP3A4
SCHEMBL11480398 0.82 KDM4E (0.58) KDM4EMAPTRAB9ANPC1CYP3A4
SCHEMBL11492404 0.82 KDM4E (0.54) KDM4EMAPTRAB9ANPC1CYP3A4
SCHEMBL2056144 0.82 KDM4E (0.54) KDM4EMAPTRAB9ANPC1CYP3A4
SCHEMBL11480395 0.82 KDM4E (0.58) KDM4EMAPTRAB9ANPC1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017646-B2 e.g. 1-{3-[3-(3,4-dimethoxyphenyl)propoxy]propyl}pyrrolidine; neurodegenerative disorders, antidepressant, antidiabetic, hypotensive agent, cognition activator; BIOPROJET (FR) 2011-09-13 US disclosed
US-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application BIOPROJET (FR) 2008-07-31 US disclosed
EP-1874747-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2008-01-09 EP disclosed
WO-2006117611-A1 HISTAMINE H3-RECEPT0R LIGANDS AND THEIR THERAPEUTIC APPLICATION BIOPROJET (FR) 2006-11-09 WO disclosed
EP-1717233-A1 Histamine H3-receptor ligands and their therapeutic application BIOPROJET (FR) 2006-11-02 EP 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-20080182876-A1 Histamine H3-Receptor Ligands and Their Therapeutic Application HRH3, HRH4, HRH1 KDM4E 1619/4885MAPT 372/4885RAB9A 2663/4885

“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.