SCHEMBL3578596

SCHEMBL3578596

Cc1oc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)nc1CCN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.68
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ATM Q13315 1/20 0.44
CCR2 P41597 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE10A Q9Y233 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3583820 0.99 HRH3 (0.67) HRH3KDM4EALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3591350 0.98 HRH3 (0.65) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3586113 0.98 HRH3 (0.65) HRH3KDM4EALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3580508 0.97 HRH3 (0.63) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3582372 0.93 HRH3 (0.59) HRH3KDM4EALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3588332 0.92 HRH3 (0.58) HRH3KDM4EALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3582162 0.91 HRH3 (0.57) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3585423 0.90 HRH3 (0.67) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3578418 0.89 HRH3 (0.67) HRH3KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3586543 0.85 HRH3 (0.49) HRH3KDM4EALDH1A1LMNASMN1; SMN2

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 14 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
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 2/4885KDM4E 486/4885ALDH1A1 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.