SCHEMBL2284508

SCHEMBL2284508

C=C(c1cccc(Br)c1)c1ccc(OCC)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.49
PDE4B Q07343 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ESR1 P03372 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FBP1 P09467 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL2279741 0.85 ALOX15 (0.47) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL2276527 0.82 SMN1; SMN2 (0.37) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL2284121 0.81 MAOB (0.47) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL2281307 0.81 SMN1; SMN2 (0.35) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL2277211 0.78 PARP1 (0.42) POLBTSHRMEN1MAPTKMT2A
SCHEMBL1941387 0.77 LMNA (0.59) HPGDPOLBTSHRMEN1MAPT
SCHEMBL257828 0.76 HPGD (0.53) HPGDPOLBTSHRMEN1KMT2A
SCHEMBL2281567 0.76 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTAS1R3
SCHEMBL8865210 0.76 C1S (0.56) HPGDTSHRMEN1KMT2ASMN1; SMN2
SCHEMBL16960580 0.73 TAS1R3 (0.56) PDE4APDE4BPDE4CPDE4DTAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
EP-2245019-B1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-11-14 EP disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 US disclosed
EP-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US disclosed
US-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-20 US 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-20090209529-A1 4,5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES BACE2, BACE1, PSEN2 PDE4A 825/4885PDE4B 728/4885PDE4C 1594/4885

“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.