SCHEMBL1948306

SCHEMBL1948306

COc1ccc2ccc(N3CCO[C@H]([C@@H](O)C(=O)Nc4ccc(C#N)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c4)C3=O)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.43
AR P10275 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL15103418 0.91 F9 (0.35) F9
SCHEMBL1947051 0.91 F9 (0.35) F9
SCHEMBL1949690 0.90 F9 (0.45) F9
Hydrochloric Acid SCHEMBL1947558 0.88 F9 (0.47) F9ARMEN1ALDH1A1MAPT
SCHEMBL1948293 0.86 F9 (0.47) F9ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL1948427 0.86 F9 (0.49) F9ARMEN1ALDH1A1MAPT
SCHEMBL1947058 0.86 F9 (0.43) F9
SCHEMBL1438832 0.85 F9 (0.42) F9
SCHEMBL1948180 0.85 F9 (0.43) F9
SCHEMBL1946498 0.84 F9 (0.42) F9

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
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885AR 4409/4885MEN1 348/4885

“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.