SCHEMBL5445455

SCHEMBL5445455

COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.44
PDE10A Q9Y233 2/20 0.43
CNR1 P21554 2/20 0.40
CCR3 P51677 1/20 0.40
CXCR4 P61073 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 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
SCHEMBL5441980 0.94 PDE10A (0.47) CNR2PDE10ACNR1CCR3MAPT
SCHEMBL5460619 0.94 PDE10A (0.50) CNR2PDE10ACNR1CCR3
SCHEMBL5449903 0.94 CNR2 (0.45) CNR2PDE10ACNR1MAPTRAB9A
SCHEMBL5453656 0.92 CNR2 (0.42) CNR2PDE10ACNR1
SCHEMBL5463014 0.91 SCD (0.47) CNR2PDE10ACNR1CXCR4
SCHEMBL5460328 0.91 PDE10A (0.49) CNR2PDE10ACNR1CCR3
SCHEMBL5440891 0.90 PDE10A (0.51) CNR2PDE10ACNR1CCR3
SCHEMBL5444353 0.89 CNR2 (0.44) CNR2PDE10ACNR1CXCR4
SCHEMBL5456159 0.89 CNR2 (0.45) CNR2PDE10AOPRM1OPRD1
SCHEMBL5444330 0.88 PDE10A (0.44) CNR2PDE10ALMNA

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 514/4885CNR1 65/4885

“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.