SCHEMBL3582756

SCHEMBL3582756

COc1ccc(-c2ccc(-c3nc(CCN4CCCC4)c(C)o3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.71
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
GAA P10253 2/20 0.51
POLB P06746 1/20 0.51
HSD17B10 Q99714 1/20 0.49
TNF P01375 1/20 0.48
NOD1 Q9Y239 1/20 0.48
PPARA Q07869 1/20 0.48
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL3583450 0.88 HRH3 (0.61) HRH3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3586296 0.87 HRH3 (0.60) HRH3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3594978 0.86 HRH3 (0.65) HRH3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3579292 0.86 HRH3 (0.65) HRH3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3587744 0.86 HRH3 (0.65) HRH3KDM4EALDH1A1PPARAMEN1
SCHEMBL13807075 0.86 HRH3 (0.95) HRH3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3587934 0.85 HRH3 (0.74) HRH3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL13807117 0.85 HRH3 (0.78) HRH3KDM4EALDH1A1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL3994924 0.84 HRH3 (0.73) HRH3KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL3583894 0.84 HRH3 (0.76) HRH3KDM4EALDH1A1MAPTSMN1; SMN2

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 15 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
EP-1786790-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-05-23 EP claimed
WO-2006019833-A1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-02-23 WO 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
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
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
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
US-20070197604-A1 Oxazole derivatives as histamine h3 receptor agents,preparation and therapeutic uses ELI LILLY AND COMPANY 2007-08-23 US 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 2/4885KDM4E 486/4885ALDH1A1 1633/4885

“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.