SCHEMBL1947434

SCHEMBL1947434

Cc1ccc(C#N)cc1NC(=O)[C@H](O)[C@H]1OCCN(c2ccc(C(C)(C)C)cc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.60
FASN P49327 4/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
GRM2 Q14416 1/20 0.35
CNR2 P34972 1/20 0.35
F10 P00742 1/20 0.34

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
SCHEMBL1947431 0.93 F9 (0.62) F9HDAC1HDAC8HDAC6GRM2
SCHEMBL1950055 0.89 F9 (0.61) F9F10
SCHEMBL1947324 0.89 F9 (0.73) F9
SCHEMBL1440773 0.87 F9 (0.58) F9HDAC1HDAC8HDAC6CNR2
SCHEMBL17353700 0.83 F9 (0.59) F9HDAC1HDAC8HDAC6
SCHEMBL17353702 0.83 F9 (0.59) F9HDAC1HDAC8HDAC6
SCHEMBL12569527 0.80 F9 (0.55) F9HDAC1HDAC8HDAC6
SCHEMBL17353827 0.80 F9 (0.55) F9HDAC1HDAC8HDAC6
SCHEMBL17353860 0.80 F9 (0.59) F9FASNF10
SCHEMBL12569649 0.80 F9 (0.59) F9FASNF10

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 2/4885FASN 2077/4885HDAC1 1052/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885FASN 2077/4885HDAC1 1052/4885

“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.