SCHEMBL1948900

SCHEMBL1948900

Cc1ccccc1CN1CCO[C@H]([C@@H](O)C(=O)Nc2ccc(C#N)cc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F9 P00740 9/20 0.54
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE7A Q13946 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MAPT P10636 1/20 0.35
EP300 Q09472 1/20 0.35

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
Hydrochloric Acid SCHEMBL1947870 0.84 F9 (0.74) F9
SCHEMBL1949463 0.81 F9 (0.60) F9MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1949460 0.81 F9 (0.60) F9MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1948290 0.77 F9 (0.72) F9
SCHEMBL1947982 0.77 F9 (0.72) F9
SCHEMBL1948032 0.76 F9 (0.55) F9SMN1; SMN2MAPT
SCHEMBL1949663 0.75 F9 (0.45) F9EP300
SCHEMBL1946419 0.75 F9 (0.59) F9
SCHEMBL1944305 0.75 F9 (0.58) F9ALDH1A1MAPTEP300
SCHEMBL1946866 0.74 F9 (0.58) F9SMN1; SMN2ALDH1A1MAPTEP300

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 2/4885FNTA 574/4885FNTB 979/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885FNTA 574/4885FNTB 979/4885

“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.