SCHEMBL12569718

SCHEMBL12569718

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

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.68
KMT2A Q03164 1/20 0.67
GAA P10253 1/20 0.67
GLA P06280 1/20 0.67
PARP10 Q53GL7 1/20 0.66
ALDH1A1 P00352 1/20 0.65
KDM4E B2RXH2 1/20 0.62
HSD11B1 P28845 1/20 0.61
MGLL Q99685 1/20 0.61
NPC1 O15118 2/20 0.59
EPHX2 P34913 1/20 0.59
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.58

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
SCHEMBL654873 0.88 PARP10 (0.67) TSHRKMT2AGAAGLAPARP10
SCHEMBL22720413 0.88 TSHR (0.65) TSHRKMT2AGAAGLAPARP10
SCHEMBL315088 0.88 TSHR (0.72) TSHRKMT2AGAAGLAPARP10
SCHEMBL6973124 0.87 GAA (0.73) TSHRKMT2AGAAGLAALDH1A1
SCHEMBL12545795 0.85 KMT2A (0.66) TSHRKMT2AGAAGLAPARP10
SCHEMBL13468069 0.85 ALDH1A1 (0.67) KMT2AALDH1A1POLB
SCHEMBL19829315 0.85 TSHR (0.69) TSHRKMT2AGAAGLAPARP10
SCHEMBL6532498 0.84 PARP10 (0.82) TSHRKMT2AGAAGLAPARP10
SCHEMBL14409571 0.84 TSHR (0.70) TSHRKMT2AGAAGLAALDH1A1
SCHEMBL655882 0.83 KMT2A (0.70) TSHRKMT2AGAAGLAPARP10

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 3 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
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO 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 TSHR 2827/4885KMT2A 1610/4885GAA 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.