SCHEMBL12545795

SCHEMBL12545795

CCOC(=O)C1CCN(C(=O)c2cccc(C(C)C)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
TSHR P16473 1/20 0.63
GAA P10253 1/20 0.61
GLA P06280 1/20 0.61
PARP10 Q53GL7 1/20 0.61
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 2/20 0.58
PARP1 P09874 1/20 0.56
NPC1 O15118 1/20 0.55
MGLL Q99685 1/20 0.55

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
SCHEMBL12569718 0.85 TSHR (0.68) KMT2ATSHRGAAGLAPARP10
SCHEMBL22720413 0.83 TSHR (0.65) KMT2ATSHRGAAGLAPARP10
SCHEMBL654873 0.83 PARP10 (0.67) KMT2ATSHRGAAGLAPARP10
SCHEMBL315088 0.83 TSHR (0.72) KMT2ATSHRGAAGLAPARP10
SCHEMBL12546059 0.83 MGLL (0.61) GAAALDH1A1MGLL
SCHEMBL6973124 0.82 GAA (0.73) KMT2ATSHRGAAGLAALDH1A1
SCHEMBL6526867 0.81 NOTUM (0.62) KMT2AALDH1A1KDM4E
SCHEMBL12911161 0.81 TSHR (0.69) KMT2ATSHRGAAGLAPARP10
SCHEMBL6532498 0.81 PARP10 (0.82) KMT2ATSHRGAAGLAPARP10
SCHEMBL14441172 0.80 MGLL (0.57) KMT2ATSHRGAAALDH1A1NPC1

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 4 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-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-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 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 KMT2A 1610/4885TSHR 2827/4885GAA 1405/4885

“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.