SCHEMBL3586583

SCHEMBL3586583

Cc1oc(-c2ccc(Br)cc2)nc1CCC=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.51
PPARA Q07869 8/20 0.51
TARBP2 Q15633 1/20 0.48
KDM4E B2RXH2 3/20 0.43
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PPARD Q03181 1/20 0.39
RAB9A P51151 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL5738511 0.85 KDM4E (0.60) PPARGPPARAKDM4EHRH3HPGD
SCHEMBL1981068 0.81 PPARG (0.54) PPARGPPARATARBP2KDM4EHRH3
SCHEMBL3578037 0.81 PPARG (0.51) PPARGPPARATARBP2KDM4EHRH3
SCHEMBL3583269 0.78 PPARA (0.52) PPARGPPARATARBP2KDM4EHRH3
SCHEMBL5023940 0.77 TARBP2 (0.50) PPARGPPARATARBP2KDM4EHRH3
SCHEMBL5093853 0.77 TARBP2 (0.54) PPARGPPARATARBP2KDM4EHRH3
SCHEMBL3996100 0.77 TARBP2 (0.50) PPARGPPARATARBP2KDM4EHRH3
SCHEMBL14431360 0.77 TARBP2 (0.50) PPARGPPARATARBP2KDM4EHRH3
SCHEMBL4830096 0.77 TARBP2 (0.50) PPARGPPARATARBP2KDM4EHRH3
SCHEMBL3586207 0.76 PPARG (0.47) PPARGPPARATARBP2KDM4EHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989115-B Oxazole derivatives as histamine H3 receptor drugs and preparation and pharmaceutical use thereof LILLY CO ELI 2012-03-21 CN 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
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 PPARG 1272/4885PPARA 1387/4885TARBP2 4638/4885

“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.