SCHEMBL5457523

SCHEMBL5457523

COc1cccc2c(C(=O)NCC(C)C)cn(CCCN3C4CCC3CC(CCc3ccc(Cl)cc3)C4)c12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.46
CNR1 P21554 3/20 0.38
CCR3 P51677 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL14411878 0.93 CNR2 (0.47) CNR2CNR1PDE10A
SCHEMBL5446568 0.93 CNR2 (0.47) CNR2CNR1PDE10A
SCHEMBL5449201 0.89 PDE10A (0.50) CNR2PDE10A
SCHEMBL5456169 0.88 CNR2 (0.46) CNR2CNR1
SCHEMBL5453733 0.88 CNR2 (0.44) CNR2PDE10A
SCHEMBL5441714 0.87 CNR2 (0.55) CNR2CNR1
SCHEMBL14410920 0.87 CNR2 (0.55) CNR2CNR1
SCHEMBL5467610 0.87 CNR2 (0.47) CNR2CNR1
SCHEMBL5446550 0.86 ALDH1A1 (0.45) CNR2CNR1
SCHEMBL5448724 0.85 PDE10A (0.51) CNR2PDE10A

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 106/4885CNR1 65/4885CCR3 1400/4885

“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.