SCHEMBL1949032

SCHEMBL1949032

N=C1NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(OC(F)(F)F)cc4C(=O)O)C3=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.44
ABL1 P00519 2/20 0.34
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
P2RY1 P47900 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CRBN Q96SW2 1/20 0.32
IKZF2 Q9UKS7 1/20 0.32
TRPV1 Q8NER1 2/20 0.32

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 SCHEMBL1438820 0.99 F9 (0.44) F9ABL1FPR1FPR2P2RY1
SCHEMBL1443117 0.94 F9 (0.44) F9ABL1FPR1FPR2TRPV1
SCHEMBL1948495 0.94 F9 (0.45) F9ABL1FPR1FPR2P2RY1
Hydrochloric Acid SCHEMBL1945726 0.94 F9 (0.44) F9ABL1FPR1FPR2TRPV1
Hydrochloric Acid SCHEMBL1950115 0.93 F9 (0.45) F9ABL1FPR1FPR2P2RY1
SCHEMBL1947415 0.88 F9 (0.48) F9ABL1TRPV1
Hydrochloric Acid SCHEMBL1442265 0.88 F9 (0.47) F9ABL1TRPV1
SCHEMBL1438565 0.87 F9 (0.50) F9
SCHEMBL12547713 0.87 F9 (0.48) F9
SCHEMBL15103421 0.86 F9 (0.54) 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 6 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 claimed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP claimed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US claimed
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 2/4885ABL1 3704/4885FPR1 809/4885

“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.