SCHEMBL4135896

SCHEMBL4135896

COc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)N(C(=O)OC(C)(C)C)CCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CASR P41180 10/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
AVPR1B P47901 1/20 0.37
P2RX3 P56373 2/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NR1I2 O75469 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL4135003 0.82 P2RX3 (0.46) TP53CASRP2RX3TLR9TLR7
SCHEMBL4142349 0.76 TP53 (0.51) TP53CASRSMN1; SMN2HCRTR1HCRTR2
SCHEMBL4152748 0.75 TP53 (0.50) TP53CASRSMN1; SMN2HCRTR1HCRTR2
SCHEMBL4154469 0.74 TP53 (0.48) TP53CASRSMN1; SMN2HCRTR1HCRTR2
SCHEMBL13851592 0.74 TP53 (0.50) TP53CASRSMN1; SMN2POLB
SCHEMBL4143434 0.73 TP53 (0.44) TP53CASRSMN1; SMN2POLBGAA
SCHEMBL4148580 0.73 CASR (0.62) CASR
SCHEMBL4143019 0.71 TP53 (0.49) TP53CASRSMN1; SMN2POLBNR1I2
SCHEMBL4143059 0.71 TP53 (0.49) TP53CASR
SCHEMBL4135630 0.71 C5AR1 (0.50) TP53POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TP53 3696/4885CASR 12/4885SMN1; SMN2 4164/4885

“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.