SCHEMBL3594307

SCHEMBL3594307

Cc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)nc1CCN1CC[C@H](F)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.49
CCR2 P41597 2/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CTSS P25774 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MITF O75030 1/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
PDE10A Q9Y233 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.37
HTT P42858 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
SCHEMBL3586543 1.00 HRH3 (0.49) HRH3CCR2LMNAKDM4ENPC1
SCHEMBL5508478 0.89 HRH3 (0.47) HRH3CCR2LMNAKDM4ENPC1
SCHEMBL3583376 0.89 HRH3 (0.47) HRH3CCR2LMNAKDM4ENPC1
SCHEMBL3593223 0.89 HRH3 (0.47) HRH3CCR2LMNAKDM4ENPC1
SCHEMBL3579079 0.89 HRH3 (0.48) HRH3LMNAKDM4ENPC1RAB9A
SCHEMBL3578784 0.89 HRH3 (0.48) HRH3LMNAKDM4ENPC1RAB9A
SCHEMBL3582528 0.87 HRH3 (0.47) HRH3CCR2LMNAKDM4ENPC1
SCHEMBL3584995 0.87 HRH3 (0.47) HRH3CCR2LMNAKDM4ENPC1
Acetic Acid SCHEMBL3576159 0.85 HRH3 (0.47) HRH3LMNAKDM4ENPC1RAB9A
Acetic Acid SCHEMBL3580313 0.85 HRH3 (0.47) HRH3LMNAKDM4ENPC1RAB9A

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 10 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
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

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 2/4885CCR2 337/4885LMNA 4551/4885

“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.