SCHEMBL3583341

SCHEMBL3583341

Cc1oc(-c2ccc(Br)cc2)nc1CCN1CCC(CN)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.51
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 3/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
CCR2 P41597 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
MITF O75030 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
PDE8B O95263 1/20 0.37
CTSS P25774 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3582675 0.89 HRH3 (0.51) HRH3PPARGPPARANPSR1POLB
SCHEMBL3581590 0.89 HRH3 (0.51) HRH3PPARGPPARANPSR1POLB
SCHEMBL3577792 0.86 HRH3 (0.54) HRH3PPARGPPARANPSR1POLB
SCHEMBL3589063 0.86 HRH3 (0.54) HRH3PPARGPPARANPSR1POLB
SCHEMBL3575567 0.86 HRH3 (0.54) HRH3PPARGPPARANPSR1POLB
SCHEMBL5501618 0.85 HRH3 (0.53) HRH3PPARGPPARANPSR1POLB
SCHEMBL3579783 0.85 HRH3 (0.53) HRH3PPARGPPARANPSR1POLB
SCHEMBL3584584 0.85 HRH3 (0.53) HRH3PPARGPPARANPSR1POLB
SCHEMBL3583344 0.84 HRH3 (0.52) HRH3PPARGPPARANPSR1POLB
SCHEMBL3581792 0.83 HRH3 (0.51) HRH3PPARGPPARANPSR1POLB

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-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 2/4885PPARG 1272/4885PPARA 1387/4885

“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.