SCHEMBL1950596

SCHEMBL1950596

CC(C)(C)OC(=O)Nc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.51
CHRM1 P11229 1/20 0.39
RARA P10276 1/20 0.38
CPT1A P50416 1/20 0.37
CPT1B Q92523 1/20 0.37
PRKDC P78527 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CCKBR P32239 2/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL1944341 0.93 F9 (0.52) F9CHRM1RARACPT1ACPT1B
SCHEMBL1444786 0.88 F9 (0.56) F9RARACCKBRXDHSLC22A12
SCHEMBL12547442 0.87 F9 (0.57) F9RARACPT1ACPT1BCCKBR
Hydrochloric Acid SCHEMBL1440222 0.87 F9 (0.56) F9RARACCKBRXDHSLC22A12
SCHEMBL1947482 0.87 F9 (0.54) F9RARACCKBRXDHSLC22A12
SCHEMBL7897022 0.87 F9 (0.54) F9RARACCKBRXDHSLC22A12
SCHEMBL1946494 0.86 F9 (0.50) F9RARA
SCHEMBL1947027 0.86 F9 (0.53) F9RARAXDHSLC22A12
SCHEMBL12547066 0.86 F9 (0.51) F9RARACPT1ACPT1BCCKBR
SCHEMBL12546318 0.85 F9 (0.56) F9RARACPT1ACPT1BCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 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
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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 (2 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 2/4885CHRM1 4665/4885RARA 2636/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885CHRM1 4665/4885RARA 2636/4885

“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.