SCHEMBL5463133

SCHEMBL5463133

COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.52
KCNH2 Q12809 1/20 0.50
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTR2A P28223 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CNR1 P21554 3/20 0.45

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
SCHEMBL5447876 0.94 ALDH1A1 (0.55) CNR2KCNH2ALDH1A1MAPTNPSR1
SCHEMBL14410968 0.93 KCNH2 (0.50) CNR2KCNH2ALDH1A1MAPTNPSR1
SCHEMBL5450940 0.88 CNR2 (0.52) CNR2KCNH2CNR1
SCHEMBL5446832 0.87 CNR2 (0.49) CNR2CNR1
SCHEMBL5454718 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL5396542 0.86 CNR2 (0.51) CNR2KCNH2ALDH1A1MAPTNPSR1
SCHEMBL5453439 0.85 CNR2 (0.49) CNR2CNR1
SCHEMBL14463728 0.85 CNR2 (0.51) CNR2HTR2ACNR1
SCHEMBL5453968 0.84 CNR2 (0.49) CNR2KCNH2HTR2AKDM4ECYP1A2
SCHEMBL5451298 0.84 PDE10A (0.51) CNR2ALDH1A1HTR2AKDM4ECYP1A2

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 106/4885KCNH2 4294/4885ALDH1A1 2963/4885

“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.