SCHEMBL3133098

SCHEMBL3133098

CC1(C)OB(c2ccc(-c3ccccc3C(N)=O)cc2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 9/20 0.55
LPL P06858 8/20 0.55
BCAT2 O15382 1/20 0.54
P4HB P07237 1/20 0.45
F11 P03951 3/20 0.44
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
PDGFRB P09619 1/20 0.44
KDR P35968 1/20 0.44
CHEK1 O14757 1/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 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
SCHEMBL19280645 0.85 BCAT2 (0.50) LIPGLPLBCAT2P4HBF11
SCHEMBL19878266 0.83 LIPG (0.53) LIPGLPLBCAT2P4HBF11
SCHEMBL15456755 0.81 LIPG (0.75) LIPGLPLP4HBF11PDGFRB
SCHEMBL29842277 0.80 KDM4C (0.43) LIPGLPLBCAT2P4HBPDGFRB
SCHEMBL5878337 0.78 BCAT2 (0.87) BCAT2CHEK1NPC1RAB9A
SCHEMBL3133101 0.77 LIPG (0.64) LIPGLPLP4HBF11PDGFRB
SCHEMBL28852276 0.77 LIPG (0.64) LIPGLPLP4HBF11PDGFRB
SCHEMBL2265622 0.77 LIPG (0.64) LIPGLPLP4HBF11PDGFRB
SCHEMBL3596902 0.76 LIPG (0.50) LIPGLPLP4HBF11F2
SCHEMBL30582476 0.76 BCAT2 (0.83) BCAT2CHEK1NPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642361-B2 Thiophene and furan compounds ELI LILLY AND COMPANY (US) 2010-01-05 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 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 (2 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-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT LIPG 4207/4885LPL 3073/4885BCAT2 4507/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 LIPG 4208/4885LPL 4234/4885BCAT2 2040/4885

“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.