SCHEMBL495995

SCHEMBL495995

CC(C)(C)OC(=O)NCCC1(c2cc(F)ccc2F)CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CDK2 P24941 1/20 0.38
DRD2 P14416 6/20 0.38
BRD4 O60885 1/20 0.38
IDO1 P14902 2/20 0.37
PDK2 Q15119 1/20 0.37
GAA P10253 2/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HIF1A Q16665 1/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL3873889 0.83 DRD2 (0.43) MMP13MMP14ADAM17ADAMTS5CDK2
SCHEMBL3363590 0.75 MIF (0.47) DRD2IDO1PDK2GAA
SCHEMBL3365606 0.74 BCHE (0.48) DRD2BRD4IDO1PDK2MAPT
SCHEMBL6700322 0.72 BCHE (0.41) IDO1PDK2POLBMAPT
SCHEMBL29891320 0.71 DPP8 (0.38) DRD2BRD4PSEN1PSEN2APH1B
SCHEMBL21135750 0.71 DPP8 (0.38) DRD2BRD4PSEN1PSEN2APH1B
SCHEMBL5110592 0.71 KAT6A (0.35) MMP13MMP14ADAM17ADAMTS5CDK2
SCHEMBL29462507 0.69 CA1 (0.44) DRD2BRD4GAAPOLB
SCHEMBL17820830 0.69 CA1 (0.44) DRD2BRD4GAAPOLB
SCHEMBL7428314 0.69 SCN9A (0.53) IDO1PDK2HPGDSCN9A

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-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-20080207735-A1 1-Amino Linked Compounds ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1910317-A1 1-AMINO LINKED COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080207735-A1 1-Amino Linked Compounds DPP4, DPP3, DPP9 MMP13 460/4885MMP14 1270/4885ADAM17 2131/4885

“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.