SCHEMBL3873889

SCHEMBL3873889

CC(C)(C)OC(=O)NCCC1(c2ccc(F)c(F)c2)CO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
CDK2 P24941 1/20 0.39
IDO1 P14902 3/20 0.38
RORC P51449 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
PDK2 Q15119 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
NQO2 P16083 1/20 0.35
ACVR1B P36896 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
SCHEMBL3363590 0.85 MIF (0.47) DRD2IDO1GAAPDK2NQO2
SCHEMBL495995 0.83 MMP13 (0.39) DRD2MMP13MMP14ADAM17ADAMTS5
SCHEMBL3291050 0.77 HDAC1 (0.46) ADAM17IDO1KDM4EMAPT
SCHEMBL5110592 0.76 KAT6A (0.35) DRD2MMP13MMP14ADAM17ADAMTS5
SCHEMBL2206308 0.75 ADAM17 (0.47) ADAM17
SCHEMBL6700322 0.75 BCHE (0.41) IDO1MAPTPDK2
SCHEMBL30946763 0.70 CA1 (0.47) GAATDP1
SCHEMBL24999627 0.69 GRM2 (0.49) GAA
SCHEMBL29769069 0.69 GRM2 (0.49) GAA
SCHEMBL8399537 0.68 CA1 (0.43) CDK2IDO1GAANQO2

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
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US disclosed
EP-1551801-A4 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2007-06-20 EP disclosed
EP-1551801-A1 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS Bristol-Myers Squibb Company (US) 2005-07-13 EP disclosed
WO-2004013098-A1 NOVEL GAMMA-LACTAMS AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-12 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-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 DRD2 3114/4885MMP13 2652/4885MMP14 1930/4885

“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.