SCHEMBL1947575

SCHEMBL1947575

CC(=O)Nc1ccc(N(CCCl)C(=O)[C@H](O)[C@@H](O)C(=O)Nc2ccc(C#N)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.32
GHSR Q92847 5/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL1946712 0.87 ALDH1A1 (0.33) ALDH1A1MAPTSMN1; SMN2NPSR1HSD17B10
SCHEMBL1950082 0.77 EGLN2 (0.38) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL1947514 0.75 GRM4 (0.34) GHSR
SCHEMBL2576810 0.74 GRM4 (0.33) GHSR
SCHEMBL1438858 0.72 EPHX2 (0.39) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL6525678 0.72 EPHX2 (0.39) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL1437821 0.71 RORC (0.45) ALDH1A1MAPTSMN1; SMN2NPSR1HSD17B10
SCHEMBL1948293 0.70 F9 (0.47) ALDH1A1MAPTSMN1; SMN2NPSR1HSD17B10
SCHEMBL1946702 0.70 SAE1 (0.40) ALDH1A1MAPTLMNATP53
SCHEMBL1950090 0.69 MAPT (0.37) ALDH1A1MAPTSMN1; SMN2LMNARAB9A

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 ALDH1A1 2444/4885MAPT 3534/4885GHSR 4377/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 ALDH1A1 2444/4885MAPT 3534/4885GHSR 4377/4885

“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.