SCHEMBL13503421

SCHEMBL13503421

CC1(C)OB(c2ccc(CCCCF)cc2)OC1(C)C

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LIPG Q9Y5X9 14/20 0.73
▸ LPL P06858 13/20 0.73
▸ F11 P03951 2/20 0.50
▸ F2 P00734 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ ESR2 Q92731 1/20 0.46
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 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
SCHEMBL14022428 0.95 LIPG (0.71) LIPGLPLF11F2PRSS1
SCHEMBL15025955 0.91 LIPG (0.86) LIPGLPLF11F2PRSS1
SCHEMBL133316 0.90 LIPG (0.87) LIPGLPLF11F2PRSS1
SCHEMBL22745551 0.85 LPL (1.00) LIPGLPLF11F2PRSS1
SCHEMBL31329315 0.85 LPL (0.71) LIPGLPLF11F2PRSS1
SCHEMBL10006068 0.84 LIPG (0.81) LIPGLPLF11F2PRSS1
SCHEMBL18727878 0.83 LPL (1.00) LIPGLPLF11F2PRSS1
SCHEMBL22666351 0.83 LPL (0.97) LIPGLPLF11F2PRSS1
SCHEMBL14227371 0.83 LPL (1.00) LIPGLPLF11F2PRSS1
SCHEMBL1353091 0.83 LPL (1.00) LIPGLPLF11F2PRSS1

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 2 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
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 LIPG 4316/4885LPL 3172/4885F11 1777/4885

“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.

Send feedback