SCHEMBL1403776

SCHEMBL1403776

CC1(C)OB(c2cccc(OC3CCCC3)n2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
FFAR4 Q5NUL3 5/20 0.34
LPL P06858 3/20 0.33
LIPG Q9Y5X9 3/20 0.33
P2RX7 Q99572 1/20 0.33
MCHR1 Q99705 2/20 0.33
PDGFRB P09619 2/20 0.33
PDGFRA P16234 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
PTGS2 P35354 1/20 0.31
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL31580851 0.99 BRD4 (0.38) BRD4FFAR4LPLLIPGP2RX7
SCHEMBL19471357 0.83 CHRM4 (0.38) SLC6A4
SCHEMBL19471359 0.83 CHRM4 (0.38) SLC6A4
SCHEMBL29699639 0.77 LPL (0.36) LPLLIPG
SCHEMBL426945 0.77 LPL (0.36) LPLLIPG
SCHEMBL20532435 0.75 DGAT1 (0.47) LPLLIPGP2RX7PDGFRBPDGFRA
SCHEMBL12615775 0.74 LPL (0.33) LPLLIPGPIM1PIM3PIM2
SCHEMBL1337773 0.73 LPL (0.42) FFAR4LPLLIPGP2RX7SLC6A2
SCHEMBL26653581 0.72 LPL (0.33) LPLLIPG
SCHEMBL22816778 0.72 LPL (0.41) LPLLIPGP2RX7SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291371-B1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2015-06-10 EP disclosed
US-8569292-B2 Cyclic inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 Vitae Pharmaceuticals, Inc. Boehringer Ingelheim International GmbH 2011-10-27 US disclosed
EP-2291371-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-03-09 EP disclosed
WO-2009134392-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110263584-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD17B1, HSD11B2 BRD4 3593/4885FFAR4 4531/4885LPL 2808/4885

“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.