SCHEMBL5336450

SCHEMBL5336450

COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCCl)c12

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.62
APEX1 P27695 1/20 0.51
CNR2 P34972 7/20 0.49
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
THRB P10828 1/20 0.46
CCR1 P32246 1/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL5317786 0.90 PDE10A (0.62) PDE10ACNR2ROCK2ROCK1TP53
SCHEMBL5337000 0.90 PDE10A (0.50) PDE10ACNR2ROCK2ROCK1TP53
SCHEMBL5462996 0.90 APEX1 (0.52) PDE10AAPEX1CNR2
SCHEMBL5446504 0.86 PDE10A (0.53) PDE10AAPEX1CNR2KMT2AROCK2
SCHEMBL5455433 0.84 PDE10A (0.51) PDE10AAPEX1CNR2KMT2A
SCHEMBL5463330 0.84 PDE10A (0.51) PDE10AAPEX1CNR2KMT2A
SCHEMBL5443891 0.84 PDE10A (0.53) PDE10AAPEX1CNR2KMT2ATHRB
SCHEMBL5449136 0.83 PDE10A (0.52) PDE10AAPEX1CNR2POLBKMT2A
SCHEMBL5451336 0.83 PDE10A (0.56) PDE10ACNR2POLBKMT2ATHRB
SCHEMBL5454578 0.83 PDE10A (0.51) PDE10AAPEX1CNR2KMT2ACCR1

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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR PDE10A 514/4885APEX1 3945/4885CNR2 106/4885

“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.