SCHEMBL1561981

SCHEMBL1561981

C[C@H]1Oc2ccccc2N(Cc2ccc(Cl)cc2)C(=O)[C@H]1N

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
XIAP P98170 1/20 0.47
GSK3B P49841 4/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CES2 O00748 1/20 0.44
BCHE P06276 1/20 0.44
CES1 P23141 1/20 0.44
ADK P55263 3/20 0.43
DRD4 P21917 1/20 0.42
F10 P00742 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7345991 0.76 MME (0.55) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7345996 0.76 MME (0.55) TSHRMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1562300 0.75 XIAP (0.48) TSHRHTTKMT2AXIAPALDH1A1
SCHEMBL7473291 0.74 TSHR (0.54) TSHRHTTMEN1KMT2AXIAP
SCHEMBL1562017 0.73 AADAT (0.41) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL30036591 0.73 AADAT (0.41) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL19592502 0.73 AADAT (0.41) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL5551997 0.72 TSHR (0.40) TSHRHTTMEN1KMT2AALDH1A1
SCHEMBL8555694 0.69 ALDH1A1 (0.46) TSHRGSK3BALDH1A1SMN1; SMN2ADK
SCHEMBL9270527 0.68 XIAP (0.53) TSHRHTTMEN1KMT2AXIAP

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-1828151-B1 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE HOFFMANN LA ROCHE (CH) 2011-04-06 EP disclosed
EP-1828151-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER'S DISEASE F.HOFFMANN-LA ROCHE AG (CH) 2007-09-05 EP disclosed
US-7211573-B2 Malonamide derivatives HOFFMANN-LA ROCHE INC. (US) 2007-05-01 US disclosed
WO-2006061136-A2 MALONAMIDE DERIVATIVES AS INHIBITORS OF GAMMA-SECRETASE FOR THE TREATMENT OF ALZHEIMER’S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2006-06-15 WO disclosed
US-20060122168-A1 Malonamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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-20060122168-A1 Malonamide derivatives ACE, REN, ME1 TSHR 1637/4885HTT 192/4885MEN1 815/4885

“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.