SCHEMBL1969700

SCHEMBL1969700

CC(C)(C)OC(=O)N1CCc2c([nH]n(-c3ccccc3)c2=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
GPR119 Q8TDV5 1/20 0.46
MAPK1 P28482 1/20 0.45
P2RX3 P56373 2/20 0.44
PARP1 P09874 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ESR2 Q92731 1/20 0.43
ADORA1 P30542 1/20 0.42
GRM5 P41594 1/20 0.42
GRM1 Q13255 1/20 0.42
NR1H2 P55055 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYBB P04839 1/20 0.41
NOX5 Q96PH1 1/20 0.41
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL2074535 0.92 MEN1 (0.53) MEN1KMT2AGPR119MAPK1P2RX3
SCHEMBL21041596 0.81 P2RX3 (0.48) GPR119MAPK1P2RX3PARP1TNKS2
SCHEMBL3295060 0.81 MAPK1 (0.44) MEN1KMT2AGPR119MAPK1P2RX3
SCHEMBL1967387 0.79 ADORA1 (0.45) MAPK1P2RX3PARP1TNKS2PARP2
SCHEMBL1970081 0.74 ADORA1 (0.41) MAPK1P2RX3PARP1TNKS2PARP2
SCHEMBL2270578 0.74 PARP1 (0.57) MAPK1PARP1TNKS2PARP2TRPV1
SCHEMBL1311162 0.74 MAPK1 (0.44) MEN1KMT2AGPR119MAPK1P2RX3
SCHEMBL350201 0.73 TRPV1 (0.69) TRPV1FAAH
Acetic Acid SCHEMBL8718251 0.73 TRPV1 (0.68) TRPV1FAAH
SCHEMBL6293337 0.72 PARP1 (0.44) GPR119MAPK1P2RX3PARP1TNKS2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 MEN1 849/4885KMT2A 4236/4885GPR119 2073/4885

“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.