SCHEMBL5455426

SCHEMBL5455426

COc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CCOc4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
PDE10A Q9Y233 1/20 0.43
APEX1 P27695 1/20 0.42
KCNA5 P22460 2/20 0.41
CNR1 P21554 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD3 P35462 1/20 0.40
DRD2 P14416 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL5448813 0.95 CNR2 (0.48) CNR2PDE10AAPEX1CNR1ALDH1A1
SCHEMBL5448675 0.94 CNR2 (0.45) CNR2PDE10AAPEX1USP2DRD3
SCHEMBL14412051 0.93 CNR2 (0.47) CNR2PDE10AAPEX1CNR1ALDH1A1
SCHEMBL5448912 0.92 CNR2 (0.49) CNR2PDE10AAPEX1CNR1DRD3
SCHEMBL5455433 0.92 PDE10A (0.51) CNR2PDE10AAPEX1KCNA5ALDH1A1
SCHEMBL5440849 0.92 CNR2 (0.40) CNR2PDE10AAPEX1KCNA5CNR1
SCHEMBL5447867 0.91 PDE10A (0.50) CNR2PDE10AKCNA5ALDH1A1MEN1
SCHEMBL5444330 0.91 PDE10A (0.44) CNR2PDE10AKCNA5ALDH1A1MEN1
SCHEMBL14411440 0.90 CNR2 (0.47) CNR2PDE10AAPEX1CNR1ALDH1A1
SCHEMBL5453064 0.90 DRD3 (0.43) CNR2APEX1KCNA5CNR1ALDH1A1

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-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

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 CNR2 106/4885PDE10A 514/4885APEX1 3945/4885

“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.