SCHEMBL3585584

SCHEMBL3585584

Cc1nnc(-c2ccc(-c3nc(CCO)c(C)o3)cc2)o1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
PPARG P37231 8/20 0.41
PPARA Q07869 7/20 0.41
GPR84 Q9NQS5 1/20 0.40
AOC3 Q16853 2/20 0.40
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
MAPK14 Q16539 1/20 0.39
KDM1A O60341 1/20 0.39
KDR P35968 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
SCHEMBL3591143 0.99 RAB9A (0.46) KDM4ERAB9ANPC1HRH3PPARG
SCHEMBL3530493 0.88 RAB9A (0.53) KDM4ERAB9ANPC1HRH3PPARG
SCHEMBL820945 0.84 SMN1; SMN2 (0.51) KDM4ERAB9ANPC1HRH3PPARG
SCHEMBL1436051 0.82 PPARA (0.51) KDM4ERAB9ANPC1HRH3PPARG
SCHEMBL1981068 0.82 PPARG (0.54) KDM4ERAB9ANPC1HRH3PPARG
SCHEMBL4888378 0.82 RAB9A (0.62) KDM4ERAB9ANPC1HRH3PPARG
SCHEMBL1436227 0.82 HSD17B10 (0.54) KDM4ERAB9ANPC1PPARGPPARA
SCHEMBL979145 0.81 KDM4E (0.65) KDM4ERAB9ANPC1HRH3PPARG
SCHEMBL5365528 0.81 KDM4E (0.57) KDM4ERAB9ANPC1PPARGPPARA
SCHEMBL7914489 0.80 KDM4E (0.48) KDM4ERAB9ANPC1HRH3PPARG

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 KDM4E 486/4885RAB9A 1983/4885NPC1 863/4885

“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.