SCHEMBL1945779

SCHEMBL1945779

Cc1ccc(N2CCCO[C@H]([C@@H](O)C(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)cc1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.66
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
RARA P10276 1/20 0.40
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
CCKBR P32239 2/20 0.39
F11 P03951 1/20 0.38
KLKB1 P03952 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 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
SCHEMBL1444786 0.88 F9 (0.56) F9RARAXDHSLC22A12CCKBR
SCHEMBL1948920 0.87 F9 (0.51) F9RARAXDHSLC22A12ITGB3
SCHEMBL7897022 0.86 F9 (0.54) F9RARAXDHSLC22A12CCKBR
SCHEMBL1947482 0.86 F9 (0.54) F9RARAXDHSLC22A12CCKBR
Hydrochloric Acid SCHEMBL1440222 0.86 F9 (0.56) F9RARAXDHSLC22A12CCKBR
SCHEMBL1947027 0.86 F9 (0.53) F9RARAXDHSLC22A12F11
SCHEMBL12547442 0.85 F9 (0.57) F9RARAXDHSLC22A12CCKBR
SCHEMBL1950050 0.85 F9 (0.54) F9RARAXDHSLC22A12CCKBR
SCHEMBL12546318 0.85 F9 (0.56) F9FPR1FPR2RARAXDH
SCHEMBL1950657 0.84 F9 (0.55) F9XDHSLC22A12ITGB3ITGA2B

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 7 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
EP-2373634-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 EP 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
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO 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 2/4885FPR1 809/4885FPR2 1681/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885FPR1 809/4885FPR2 1681/4885

“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.