SCHEMBL12545658

SCHEMBL12545658

Cc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(CN)cc3)C2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 13/20 0.75
PLG P00747 2/20 0.39
KLK1 P06870 2/20 0.39
KLK6 Q92876 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F10 P00742 1/20 0.37

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
SCHEMBL1947470 1.00 F9 (0.75) F9PLGKLK1KLK6NPC1
Trifluoroacetic Acid SCHEMBL1948933 0.94 F9 (0.67) F9
SCHEMBL1948288 0.88 F9 (0.58) F9
SCHEMBL1948284 0.88 F9 (0.58) F9
SCHEMBL12786699 0.87 F9 (0.76) F9NPC1TP53PKMMAPK1
SCHEMBL12545860 0.87 F9 (0.85) F9NPC1TP53PKMMAPK1
SCHEMBL1949100 0.85 F9 (1.00) F9NPC1TP53PKMMAPK1
SCHEMBL12545907 0.85 F9 (0.82) F9NPC1TP53PKMMAPK1
SCHEMBL1948280 0.85 F9 (1.00) F9NPC1TP53PKMMAPK1
Hydrochloric Acid SCHEMBL1439227 0.85 F9 (0.98) F9NPC1TP53PKMMAPK1

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 2/4885PLG 48/4885KLK1 1190/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885PLG 48/4885KLK1 1190/4885

“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.