SCHEMBL5453559

SCHEMBL5453559

COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(Oc3ccccc3Cl)C4)c12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CNR2 P34972 12/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 2/20 0.42
KCNH2 Q12809 2/20 0.40
OPRK1 P41145 1/20 0.40
PRPS1 P60891 1/20 0.40
HTR3A P46098 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
SCHEMBL5454582 0.90 MAPT (0.47) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5446852 0.89 CNR2 (0.54) ALDH1A1MAPTNPSR1CNR2KCNH2
SCHEMBL5452514 0.88 CNR2 (0.48) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5454604 0.86 CNR2 (0.47) CNR2PRPS1
SCHEMBL5454713 0.86 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5452598 0.86 PRPS1 (0.43) ALDH1A1MAPTNPSR1CNR2KMT2A
SCHEMBL14411856 0.85 CNR2 (0.49) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL14411891 0.85 CNR2 (0.49) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5440647 0.85 PDE10A (0.51) CNR2
SCHEMBL5453518 0.84 CNR2 (0.45) CNR2KCNH2OPRK1

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 ALDH1A1 2963/4885MAPT 4523/4885NPSR1 33/4885

“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.