SCHEMBL1950657

SCHEMBL1950657

O=C(Nc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(-c4noc(=O)[nH]4)cc3)C2=O)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F9 P00740 11/20 0.55
ALDH1A1 P00352 1/20 0.43
PTPN1 P18031 3/20 0.41
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
F10 P00742 1/20 0.38
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
PTPN2 P17706 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
SCHEMBL1947482 0.88 F9 (0.54) F9ITGB3ITGA2BF10XDH
SCHEMBL1444786 0.88 F9 (0.56) F9ITGB3ITGA2BXDHSLC22A12
SCHEMBL7897022 0.88 F9 (0.54) F9ITGB3ITGA2BF10XDH
Hydrochloric Acid SCHEMBL1440222 0.88 F9 (0.56) F9ITGB3ITGA2BF10XDH
SCHEMBL1948920 0.87 F9 (0.51) F9ALDH1A1ITGB3ITGA2BXDH
SCHEMBL7902703 0.85 F9 (0.54) F9ITGB3ITGA2BXDHSLC22A12
SCHEMBL1946271 0.85 F9 (0.50) F9ITGB3ITGA2BF10XDH
SCHEMBL1945824 0.85 F9 (0.51) F9F10
SCHEMBL1947027 0.85 F9 (0.53) F9ITGB3ITGA2BXDHSLC22A12
SCHEMBL1950050 0.85 F9 (0.54) F9ITGB3ITGA2BXDHSLC22A12

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 2/4885ALDH1A1 2444/4885PTPN1 1764/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885ALDH1A1 2444/4885PTPN1 1764/4885

“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.