SCHEMBL1948920

SCHEMBL1948920

O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H](O)[C@H]1OCCN(c2ccc(N3CCCC3=O)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.51
NPC1 O15118 2/20 0.39
XDH P47989 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
RARA P10276 1/20 0.37
HPGDS O60760 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
SCHEMBL1949871 0.94 F9 (0.50) F9NPC1XDHSLC22A12ALDH1A1
SCHEMBL1945824 0.90 F9 (0.51) F9
Hydrochloric Acid SCHEMBL1440222 0.89 F9 (0.56) F9XDHSLC22A12ITGB3ITGA2B
SCHEMBL1947482 0.89 F9 (0.54) F9XDHSLC22A12ITGB3ITGA2B
SCHEMBL1444786 0.89 F9 (0.56) F9XDHSLC22A12ITGB3ITGA2B
SCHEMBL7897022 0.89 F9 (0.54) F9XDHSLC22A12ITGB3ITGA2B
SCHEMBL1945779 0.87 F9 (0.66) F9XDHSLC22A12ITGB3ITGA2B
SCHEMBL1950657 0.87 F9 (0.55) F9XDHSLC22A12ALDH1A1ITGB3
SCHEMBL7902703 0.87 F9 (0.54) F9XDHSLC22A12ITGB3ITGA2B
SCHEMBL1947027 0.87 F9 (0.53) 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 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 2/4885NPC1 2032/4885XDH 121/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885NPC1 2032/4885XDH 121/4885

“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.