SCHEMBL1949463

SCHEMBL1949463

COc1ccc(CN2CCOC(C(O)C(=O)Nc3ccc(C#N)cc3)C2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.60
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
KCNA5 P22460 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
GRIN2B Q13224 1/20 0.42
USP2 O75604 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 3/20 0.40
PRKAB2 O43741 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAA1 Q13131 2/20 0.40

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
SCHEMBL1949460 1.00 F9 (0.60) F9TSHRSMN1; SMN2KDM4EPOLB
SCHEMBL7902899 0.86 F9 (0.70) F9TSHRSMN1; SMN2KDM4EHSD17B10
SCHEMBL12546714 0.86 F9 (0.60) F9SMN1; SMN2KDM4EHSD17B10HIF1A
SCHEMBL12546512 0.86 F9 (0.70) F9TSHRSMN1; SMN2KDM4EHSD17B10
SCHEMBL1947228 0.85 F9 (0.82) F9KDM4EHSD17B10HIF1AEPAS1
Hydrochloric Acid SCHEMBL1949875 0.84 F9 (0.81) F9KDM4EHSD17B10HIF1AEPAS1
SCHEMBL1948900 0.81 F9 (0.54) F9SMN1; SMN2KMT2AMAPTMEN1
SCHEMBL12812978 0.81 F9 (0.47) F9SMN1; SMN2KDM4EHSD17B10HIF1A
SCHEMBL1949683 0.80 F9 (0.50) F9TSHRSMN1; SMN2HIF1AEPAS1
SCHEMBL17238270 0.80 F9 (0.50) F9TSHRSMN1; SMN2HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2/4885TSHR 2827/4885SMN1; SMN2 1538/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885TSHR 2827/4885SMN1; SMN2 1538/4885

“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.