SCHEMBL3579292

SCHEMBL3579292

COc1ccc(-c2ccc(-c3nc(CCN4CCCC4)c(C)o3)cc2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.65
ALDH1A1 P00352 6/20 0.56
HPGD P15428 6/20 0.56
HSD17B10 Q99714 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 5/20 0.53
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 1/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
USP2 O75604 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL13503426 0.89 HRH3 (0.59) HRH3ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3582756 0.86 HRH3 (0.71) HRH3ALDH1A1HSD17B10GAAPOLB
SCHEMBL3586296 0.83 HRH3 (0.60) HRH3ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3594978 0.82 HRH3 (0.65) HRH3ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL13807075 0.82 HRH3 (0.95) HRH3ALDH1A1HPGDHSD17B10POLB
SCHEMBL3583450 0.82 HRH3 (0.61) HRH3ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3587934 0.81 HRH3 (0.74) HRH3ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL13807117 0.81 HRH3 (0.78) HRH3ALDH1A1HPGDHSD17B10GAA
Hydrochloric Acid SCHEMBL3994924 0.80 HRH3 (0.73) HRH3ALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL3584903 0.80 HRH3 (0.65) HRH3ALDH1A1GAAKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666871-B2 3-Methyl-6-(4-{5-methyl-4-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-oxazol-2-yl}-phenyl)-pyridazine; for treatment of obesity, cognitive deficiencies, narcolepsy ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
EP-1786790-B1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-06-03 EP claimed
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US claimed
US-7666871-B2 3-Methyl-6-(4-{5-methyl-4-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-oxazol-2-yl}-phenyl)-pyridazine; for treatment of obesity, cognitive deficiencies, narcolepsy ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1786790-B1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-06-03 EP disclosed
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US disclosed
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP disclosed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 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-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses HCRTR1, HRH3, HCRTR2 HRH3 2/4885ALDH1A1 1633/4885HPGD 1930/4885

“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.