SCHEMBL1946271

SCHEMBL1946271

O=C(CC1CC1)Nc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.50
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
F10 P00742 1/20 0.40
XDH P47989 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
F11 P03951 2/20 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
SCHEMBL1947027 0.90 F9 (0.53) F9ITGB3ITGA2BXDHSLC22A12
SCHEMBL1444786 0.88 F9 (0.56) F9ITGB3ITGA2BXDHSLC22A12
SCHEMBL1947482 0.88 F9 (0.54) F9ITGB3ITGA2BF10XDH
Hydrochloric Acid SCHEMBL1440222 0.88 F9 (0.56) F9ITGB3ITGA2BF10XDH
SCHEMBL7897022 0.88 F9 (0.54) F9ITGB3ITGA2BF10XDH
SCHEMBL1950657 0.85 F9 (0.55) F9ITGB3ITGA2BF10XDH
SCHEMBL1948920 0.85 F9 (0.51) F9ITGB3ITGA2BXDHSLC22A12
SCHEMBL1945824 0.85 F9 (0.51) F9F10
SCHEMBL12546318 0.85 F9 (0.56) F9ITGB3ITGA2BXDHSLC22A12
SCHEMBL12547442 0.85 F9 (0.57) F9ITGB3ITGA2BF10XDH

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 5 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
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 2/4885ITGB3 669/4885ITGA2B 293/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885ITGB3 669/4885ITGA2B 293/4885

“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.