SCHEMBL1949690

SCHEMBL1949690

CC(C)(C)OC(=O)N(Cc1cc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc4cccnc4c3)C2=O)ccc1C#N)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 13/20 0.45
CALCB P10092 1/20 0.32
ADM2 Q7Z4H4 1/20 0.32
ABL1 P00519 1/20 0.32
SRC P12931 1/20 0.32
TRPV1 Q8NER1 2/20 0.31
DHODH Q02127 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ADAM17 P78536 1/20 0.31

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
SCHEMBL1947517 0.91 F9 (0.36) F9CALCBADM2ABL1SRC
SCHEMBL1948306 0.90 F9 (0.43) F9
SCHEMBL15103398 0.87 F9 (0.51) F9TRPV1
SCHEMBL1948293 0.86 F9 (0.47) F9
SCHEMBL1948427 0.86 F9 (0.49) F9TRPV1MMP1
Hydrochloric Acid SCHEMBL1947612 0.86 F9 (0.50) F9TRPV1
SCHEMBL1947058 0.86 F9 (0.43) F9
SCHEMBL1438832 0.85 F9 (0.42) F9TRPV1
SCHEMBL12817540 0.84 F9 (0.47) F9
SCHEMBL1946498 0.84 F9 (0.42) F9

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 3 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
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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 (1 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 2/4885CALCB 2254/4885ADM2 508/4885

“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.