SCHEMBL4140446

SCHEMBL4140446

COc1ccccc1-c1nc2c(c(=O)n1CCc1ccccc1)CN(C(=O)CC(C)C)CC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.44
PDE5A O76074 1/20 0.44
PDE6A P16499 1/20 0.44
PDE4A P27815 1/20 0.44
HTR7 P34969 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
PDE11A Q9HCR9 1/20 0.44
TP53 P04637 1/20 0.43
PTGDR2 Q9Y5Y4 10/20 0.40
POLB P06746 1/20 0.40
MTHFD2 P13995 1/20 0.40
CASR P41180 1/20 0.39
P2RX3 P56373 1/20 0.39
AVPR1B P47901 1/20 0.39

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
SCHEMBL4155138 0.89 CASR (0.52) PDE10APDE5APDE6APDE4AHTR7
SCHEMBL4143434 0.87 TP53 (0.44) TP53PTGDR2POLBMTHFD2CASR
SCHEMBL4135630 0.82 C5AR1 (0.50) TP53POLB
SCHEMBL13851592 0.81 TP53 (0.50) TP53POLBCASR
SCHEMBL4135003 0.81 P2RX3 (0.46) TP53POLBCASRP2RX3
SCHEMBL4151564 0.78 CASR (0.50) MTHFD2CASR
SCHEMBL4142349 0.78 TP53 (0.51) TP53POLBCASR
SCHEMBL5189813 0.77 CASR (0.56) MTHFD2CASR
SCHEMBL4143019 0.77 TP53 (0.49) TP53POLBCASR
SCHEMBL4143059 0.77 TP53 (0.49) HTR7TP53CASR

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-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
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB PDE10A 754/4885PDE5A 1828/4885PDE6A 2117/4885

“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.