SCHEMBL1944341

SCHEMBL1944341

CC(C)(C)OC(=O)Nc1cccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.52
RORC P51449 2/20 0.38
CHRM1 P11229 1/20 0.38
RARA P10276 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
ATM Q13315 1/20 0.36
PRKDC P78527 1/20 0.36
CCKBR P32239 2/20 0.36

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
SCHEMBL1950596 0.93 F9 (0.51) F9CHRM1RARACPT1ACPT1B
SCHEMBL1947621 0.90 F9 (0.56) F9RARACCKBR
SCHEMBL1948276 0.88 F9 (0.60) F9RARACCKBR
SCHEMBL1950558 0.86 F9 (0.52) F9RARACPT1ACPT1BATM
SCHEMBL7903203 0.85 F9 (0.51) F9RARACPT1ACPT1BCCKBR
Hydrochloric Acid SCHEMBL1948787 0.85 F9 (0.54) F9RARACCKBR
SCHEMBL12547284 0.85 F9 (0.52) F9RARACCKBR
SCHEMBL7902685 0.85 F9 (0.52) F9RARACCKBR
SCHEMBL12547203 0.84 F9 (0.49) F9RARACPT1ACPT1BCCKBR
SCHEMBL1947238 0.84 F9 (0.51) 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 5 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
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 2/4885RORC 4696/4885CHRM1 4665/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885RORC 4696/4885CHRM1 4665/4885

“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.