SCHEMBL3581849

SCHEMBL3581849

Cc1oc(-c2ccc(-c3ccc(F)cc3)cc2)nc1CCN1CCCC1C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.78
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
HTR1A P08908 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HRH2 P25021 1/20 0.46
HTR1D P28221 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
CCR2 P41597 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL3586514 1.00 HRH3 (0.78) HRH3KMT2AMEN1LMNACHRM2
SCHEMBL3583152 0.91 HRH3 (0.81) HRH3KMT2AALDH1A1
SCHEMBL3583156 0.91 HRH3 (0.81) HRH3KMT2AALDH1A1
SCHEMBL3576479 0.90 HRH3 (0.95) HRH3KMT2AMEN1HTR2AKDM4E
SCHEMBL3585987 0.90 HRH3 (0.95) HRH3KMT2AMEN1HTR2AKDM4E
SCHEMBL3576144 0.90 HRH3 (0.76) HRH3KMT2AMEN1ALDH1A1
SCHEMBL3586014 0.90 HRH3 (0.76) HRH3KMT2AMEN1ALDH1A1
SCHEMBL3582305 0.89 HRH3 (0.78) HRH3ALDH1A1KDM4EKCNH2
SCHEMBL3582308 0.89 HRH3 (0.78) HRH3ALDH1A1KDM4EKCNH2
Hydrochloric Acid SCHEMBL3990407 0.88 HRH3 (0.76) HRH3ALDH1A1KDM4EKCNH2

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
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
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

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 2/4885KMT2A 230/4885MEN1 1603/4885

“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.