SCHEMBL5455101

SCHEMBL5455101

COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.47
OPRK1 P41145 3/20 0.43
KCNH2 Q12809 3/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
CNR1 P21554 5/20 0.43
SLC6A3 Q01959 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
SCHEMBL5463315 0.94 CNR2 (0.46) CNR2OPRK1KCNH2OPRM1OPRD1
SCHEMBL14464383 0.94 CNR2 (0.46) CNR2OPRK1KCNH2OPRM1OPRD1
SCHEMBL5454742 0.89 CNR2 (0.60) CNR2OPRK1KCNH2OPRM1OPRD1
SCHEMBL5452514 0.88 CNR2 (0.48) CNR2CNR1
SCHEMBL5453439 0.87 CNR2 (0.49) CNR2CNR1
SCHEMBL14411858 0.86 CNR2 (0.48) CNR2CNR1
SCHEMBL14411884 0.86 CNR2 (0.48) CNR2CNR1
SCHEMBL5452000 0.84 CNR2 (0.48) CNR2CNR1
SCHEMBL5445448 0.84 CNR2 (0.49) CNR2CNR1
SCHEMBL14410930 0.83 CNR2 (0.44) CNR2CNR1

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 106/4885OPRK1 250/4885KCNH2 4294/4885

“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.