SCHEMBL4155138

SCHEMBL4155138

CC(C)CC(=O)N1CCc2nc(-c3ccccc3O)n(CCc3ccccc3)c(=O)c2C1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 16/20 0.52
PDE10A Q9Y233 3/20 0.46
PDE5A O76074 1/20 0.46
PDE6A P16499 1/20 0.46
PDE4A P27815 1/20 0.46
HTR7 P34969 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
PDE11A Q9HCR9 1/20 0.46
MTHFD2 P13995 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
SCHEMBL4140446 0.89 PDE10A (0.44) CASRPDE10APDE5APDE6APDE4A
SCHEMBL5189813 0.88 CASR (0.56) CASRMTHFD2
SCHEMBL4151564 0.87 CASR (0.50) CASRMTHFD2
SCHEMBL4143940 0.86 CASR (0.54) CASR
SCHEMBL4147993 0.83 CASR (0.58) CASR
SCHEMBL4148052 0.81 CASR (0.62) CASR
SCHEMBL4135270 0.81 CASR (0.56) CASR
SCHEMBL3384744 0.78 CASR (0.63) CASR
SCHEMBL3380700 0.78 CASR (0.63) CASR
SCHEMBL4138477 0.77 CASR (0.57) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US claimed
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 CASR 12/4885PDE10A 754/4885PDE5A 1828/4885

“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.