SCHEMBL4135003

SCHEMBL4135003

COc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.46
TP53 P04637 1/20 0.43
CASR P41180 4/20 0.40
POLB P06746 1/20 0.40
P2RX7 Q99572 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
SLC2A1 P11166 1/20 0.38

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
SCHEMBL13851592 0.86 TP53 (0.50) TP53CASRPOLB
SCHEMBL4143434 0.84 TP53 (0.44) TP53CASRPOLB
SCHEMBL4135896 0.82 TP53 (0.43) P2RX3TP53CASRPOLBTLR9
SCHEMBL4142349 0.81 TP53 (0.51) TP53CASRPOLBTNKS2
SCHEMBL4140446 0.81 PDE10A (0.44) P2RX3TP53CASRPOLB
SCHEMBL4143059 0.79 TP53 (0.49) TP53CASR
SCHEMBL4143019 0.79 TP53 (0.49) TP53CASRPOLB
SCHEMBL4135630 0.79 C5AR1 (0.50) TP53POLB
SCHEMBL4142867 0.77 CASR (0.54) P2RX3CASR
SCHEMBL4143333 0.77 P2RX3 (0.41) P2RX3TP53CASRPARP1TNKS2

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB P2RX3 1604/4885TP53 3696/4885CASR 12/4885

“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.