SCHEMBL3582812

SCHEMBL3582812

Cc1oc(-c2ccc(-c3cccc(C(F)(F)F)c3)cc2)nc1CCN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.68
MAPT P10636 4/20 0.60
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.60
TDP1 Q9NUW8 2/20 0.60
HTT P42858 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 1/20 0.53
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
PDE10A Q9Y233 1/20 0.47
CTSS P25774 2/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
KCNH2 Q12809 1/20 0.45
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL3586736 0.85 HRH3 (0.64) HRH3MAPTALDH1A1LMNATDP1
SCHEMBL13807075 0.84 HRH3 (0.95) HRH3MAPTALDH1A1LMNATDP1
SCHEMBL13806987 0.84 HRH3 (0.72) HRH3MAPTALDH1A1LMNATDP1
SCHEMBL5501392 0.82 HRH3 (0.65) HRH3MAPTALDH1A1LMNATDP1
SCHEMBL3587808 0.81 HRH3 (0.68) HRH3MAPTALDH1A1TDP1KDM4E
SCHEMBL3578418 0.80 HRH3 (0.67) HRH3MAPTALDH1A1LMNATDP1
SCHEMBL3587744 0.80 HRH3 (0.65) HRH3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3587934 0.79 HRH3 (0.74) HRH3MAPTALDH1A1LMNATDP1
SCHEMBL3582796 0.78 HRH3 (0.74) HRH3MAPTALDH1A1LMNATDP1
SCHEMBL13807117 0.78 HRH3 (0.78) HRH3MAPTALDH1A1LMNATDP1

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 12 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
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
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 2/4885MAPT 1649/4885ALDH1A1 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.