SCHEMBL2285126

SCHEMBL2285126

CCOc1ccc(C2(c3cccc(Nc4cccc(OC)c4)c3)COC(NOC=O)=N2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.38
MTNR1B P49286 3/20 0.38
MAPT P10636 5/20 0.36
POLB P06746 1/20 0.36
ERBB3 P21860 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
MTNR1A P48039 2/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
STK4 Q13043 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL2283610 0.89 MTNR1B (0.35) EGFRMTNR1BMAPTPOLBERBB3
SCHEMBL2283648 0.86 BACE1 (0.43) EGFRMTNR1BMAPTPOLBERBB3
SCHEMBL2283970 0.85 BACE1 (0.39) MTNR1BMAPTPOLBMTNR1ASMN1; SMN2
Formic Acid SCHEMBL2285120 0.85 BACE1 (0.43) EGFRMTNR1BMAPTPOLBERBB3
SCHEMBL2279753 0.84 BACE1 (0.47) EGFRMTNR1BMAPTPOLBERBB3
SCHEMBL13685481 0.82 BACE1 (0.43)
SCHEMBL2279259 0.81 ADAM17 (0.39) MTNR1BMAPTMTNR1ASMN1; SMN2HTT
SCHEMBL2284535 0.81 BACE1 (0.44) MAPTPOLBLMNAHPGDTP53
SCHEMBL2285600 0.80 NPC1 (0.39) MTNR1BMAPTMTNR1AALDH1A1PKM
SCHEMBL2283348 0.80 BACE1 (0.45) EGFR

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 3 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
US-7989449-B2 4,5-dihydro-oxazol-2-yl amine derivatives HOFFMAN-LA ROCHE INC. (US) 2011-08-02 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 EGFR 2938/4885MTNR1B 664/4885MAPT 36/4885

“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.