SCHEMBL1945952

SCHEMBL1945952

CC(C)(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(c3)CNC4=N)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F9 P00740 13/20 0.56
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F10 P00742 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IMPDH2 P12268 1/20 0.34
MAPK14 Q16539 1/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
Hydrochloric Acid SCHEMBL1947601 0.99 F9 (0.56) F9LMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL1949182 0.93 F9 (0.50) F9
Hydrochloric Acid SCHEMBL1947801 0.92 F9 (0.49) F9
SCHEMBL12545885 0.92 F9 (0.63) F9SMN1; SMN2F10
SCHEMBL1947399 0.91 F9 (0.56) F9MAPTALDH1A1F10MEN1
Hydrochloric Acid SCHEMBL1950569 0.90 F9 (0.55) F9MAPTALDH1A1F10MEN1
SCHEMBL1947714 0.90 F9 (0.52) F9F10
SCHEMBL7904177 0.90 F9 (0.52) F9F10
SCHEMBL1947668 0.90 F9 (0.53) F9MAPTALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1946720 0.89 F9 (0.52) F9MAPTALDH1A1MEN1KMT2A

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 17 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 claimed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US claimed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US claimed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US claimed
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-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US 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-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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 2/4885LMNA 95/4885MAPT 3534/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 F9 2/4885LMNA 95/4885MAPT 3534/4885

“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.