SCHEMBL1900744

SCHEMBL1900744

CCOC(=O)c1cnc(C(C)(C)C)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 4/20 0.44
NPC1 O15118 3/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
GLA P06280 2/20 0.42
IKBKB O14920 1/20 0.42
MAPK1 P28482 1/20 0.42
HSP90AA1 P07900 1/20 0.42
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL1907882 0.85 TSHR (0.47) KDM4ENPC1MAPTRAB9AMEN1
SCHEMBL1901344 0.84 CA12 (0.50) DPP4L3MBTL1KDM4ENPC1MAPT
SCHEMBL1899711 0.84 TSHR (0.42) DPP4KDM4ENPC1MAPTRAB9A
SCHEMBL17648259 0.83 THRB (0.41) DPP4L3MBTL1KDM4ENPC1MAPT
SCHEMBL17648758 0.82 BAZ2B (0.50) L3MBTL1KDM4ENPC1MAPTGAA
SCHEMBL4046668 0.81 CA12 (0.50) DPP4L3MBTL1KDM4ENPC1MAPT
SCHEMBL3280262 0.80 DPP4 (0.49) DPP4L3MBTL1KDM4ENPC1MAPT
SCHEMBL20489593 0.79 DPP4 (0.48) DPP4KDM4ENPC1MAPTGAA
SCHEMBL20639197 0.78 TP53 (0.44) DPP4MAPTMEN1KMT2A
SCHEMBL31171418 0.77 TSHR (0.60) DPP4L3MBTL1KDM4EMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
EP-2325180-A1 Chiral CIS-imidazolines F. Hoffmann-La Roche AG (CH) 2011-05-25 EP disclosed
EP-2203437-A1 CHIRAL CIS-IMIDAZOLINES F. Hoffmann-Roche AG (CH) 2010-07-07 EP disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
WO-2009047161-A1 CHIRAL CIS-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 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-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 DPP4 3038/4885L3MBTL1 688/4885KDM4E 3020/4885

“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.