SCHEMBL1950284

SCHEMBL1950284

CC(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(C#N)cc3)C2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.59
PANK3 Q9H999 3/20 0.51
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 1/20 0.38

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
SCHEMBL1438536 0.91 F9 (0.62) F9PANK3ALDH1A1HDAC1HDAC8
SCHEMBL1948290 0.90 F9 (0.72) F9PANK3HDAC1HDAC8HDAC6
SCHEMBL1947982 0.90 F9 (0.72) F9PANK3HDAC1HDAC8HDAC6
SCHEMBL1946415 0.89 F9 (0.58) F9PANK3ALDH1A1HDAC1HDAC8
SCHEMBL1949308 0.89 F9 (0.64) F9PANK3ALDH1A1HDAC1HDAC8
SCHEMBL1440773 0.88 F9 (0.58) F9PANK3ALDH1A1LMNAHDAC1
SCHEMBL1944305 0.88 F9 (0.58) F9ALDH1A1LMNAHDAC1HDAC8
SCHEMBL1946866 0.88 F9 (0.58) F9PANK3ALDH1A1HDAC1HDAC8
SCHEMBL1949155 0.88 F9 (0.58) F9HDAC1HDAC8HDAC6
SCHEMBL1950508 0.87 F9 (0.57) F9PANK3HDAC1HDAC8HDAC6

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 2/4885PANK3 3315/4885ALDH1A1 2444/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885PANK3 3315/4885ALDH1A1 2444/4885

“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.