SCHEMBL5451253

SCHEMBL5451253

COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCCN(Cc4ccc(F)cc4)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
PDE10A Q9Y233 3/20 0.46
KLKB1 P03952 6/20 0.44
KDM4E B2RXH2 3/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL5453582 0.90 PDE10A (0.43) CNR2PDE10AALDH1A1LMNA
SCHEMBL14411446 0.90 PDE10A (0.45) CNR2PDE10ADRD2DRD4DRD3
SCHEMBL5453856 0.89 CNR2 (0.49) CNR2PDE10AKDM4EDRD2DRD4
SCHEMBL5454500 0.89 CNR2 (0.48) CNR2PDE10AKDM4EDRD2DRD4
SCHEMBL5448672 0.88 PDE10A (0.53) CNR2PDE10AKDM4EDRD2DRD4
SCHEMBL14463822 0.88 CNR2 (0.49) CNR2KDM4EDRD2DRD4DRD3
SCHEMBL5454578 0.87 PDE10A (0.51) CNR2PDE10AKDM4EDRD2DRD4
SCHEMBL5450975 0.87 PDE10A (0.47) CNR2PDE10AKDM4EDRD2DRD4
SCHEMBL5448906 0.87 CNR2 (0.48) CNR2PDE10ADRD3LMNA
SCHEMBL5452085 0.87 CNR2 (0.51) CNR2PDE10AKDM4EALDH1A1LMNA

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 514/4885KLKB1 4275/4885

“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.