SCHEMBL1945665

SCHEMBL1945665

N=C1NCc2cc(NC(=O)C(O)[C@H]3OCCN(c4ccccc4C(=O)N4CCCC4)C3=O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.52
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
TSHR P16473 1/20 0.31
RECQL P46063 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL12548683 1.00 F9 (0.52) F9ALDH1A1SMN1; SMN2NPSR1LMNA
SCHEMBL15103423 0.91 F9 (0.54) F9ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL15103421 0.91 F9 (0.54) F9ALDH1A1PIK3CDPIK3CAPIK3CB
SCHEMBL1946314 0.89 F9 (0.52) F9ALDH1A1SMN1; SMN2MAPT
SCHEMBL1946310 0.89 F9 (0.52) F9ALDH1A1SMN1; SMN2MAPT
SCHEMBL12569595 0.89 F9 (0.56) F9PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL12547885 0.89 F9 (0.54) F9PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL15103485 0.89 F9 (0.54) F9PIK3CDPIK3CAPIK3CBMTOR
SCHEMBL7904456 0.88 F9 (0.53) F9ALDH1A1SMN1; SMN2RECQLMAPT
SCHEMBL1947049 0.88 F9 (0.53) F9ALDH1A1SMN1; SMN2RECQLMAPT

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
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US claimed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP claimed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US claimed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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 (1 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 2444/4885SMN1; SMN2 1538/4885

“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.