SCHEMBL12546296

SCHEMBL12546296

CC(=O)O[C@@H](C(=O)Cl)[C@@H](OC(C)=O)C(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ IL18 Q14116 1/20 0.46
▸ KDM1A O60341 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL1438325 0.89 RECQL (0.53) LMNATSHRMAPTHTTNLRP3
SCHEMBL17237614 0.75 PANK3 (0.41) LMNATSHRMAPTHTTNLRP3
SCHEMBL12546300 0.75 RORC (0.42) LMNATSHRMAPTHTTNLRP3
SCHEMBL17538666 0.74 MAPT (0.56) LMNATSHRMAPTHTTNLRP3
SCHEMBL17237619 0.74 MEN1 (0.36) LMNATSHRMAPTHTTNLRP3
SCHEMBL17237603 0.74 MEN1 (0.36) LMNATSHRMAPTHTTNLRP3
SCHEMBL12309897 0.74 PGR (0.56) LMNATSHRMAPTHTTNLRP3
SCHEMBL20941550 0.74 MAPT (0.54) LMNATSHRMAPTHTTNLRP3
SCHEMBL17237604 0.73 SAE1 (0.37) LMNATSHRMAPTHTTNLRP3
SCHEMBL20941781 0.72 MAPT (0.56) LMNATSHRMAPTHTTNLRP3

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 8 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 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-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

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 LMNA 95/4885TSHR 2827/4885MAPT 3534/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 LMNA 95/4885TSHR 2827/4885MAPT 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.

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