SCHEMBL1334979

SCHEMBL1334979

COc1ccc(CN2C(=O)COC[C@H]2c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.58
HCRTR2 O43614 6/20 0.58
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
GSK3B P49841 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
KCNA5 P22460 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL1334981 1.00 HCRTR1 (0.58) HCRTR1HCRTR2MEN1KMT2AGSK3B
SCHEMBL25329990 0.88 HCRTR1 (0.53) HCRTR1HCRTR2MEN1KMT2AL3MBTL1
SCHEMBL1332867 0.82 MEN1 (0.50) HCRTR1HCRTR2MEN1KMT2AGSK3B
SCHEMBL15133185 0.82 MEN1 (0.53) HCRTR1HCRTR2MEN1KMT2AL3MBTL1
SCHEMBL16796874 0.81 HCRTR2 (0.64) HCRTR1HCRTR2MEN1KMT2ASIGMAR1
SCHEMBL697331 0.81 HCRTR1 (0.52) HCRTR1HCRTR2MEN1KMT2AGSK3B
SCHEMBL1459146 0.81 HCRTR1 (0.52) HCRTR1HCRTR2MEN1KMT2AGSK3B
SCHEMBL3508819 0.81 HCRTR1 (0.52) HCRTR1HCRTR2MEN1KMT2AGSK3B
SCHEMBL1177390 0.80 HCRTR1 (0.49) HCRTR1HCRTR2MEN1KMT2AGSK3B
SCHEMBL19521008 0.80 HCRTR1 (0.49) HCRTR1HCRTR2MEN1KMT2AGSK3B

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-2569310-A1 MORPHOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Pfizer Inc (US) 2013-03-20 EP disclosed
WO-2011141848-A1 MORPHOLINE COMPOUNDS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS PFIZER INC. (US) 2011-11-17 WO disclosed
US-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 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-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 HCRTR1 935/4885HCRTR2 621/4885MEN1 62/4885

“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.