SCHEMBL5452412

SCHEMBL5452412

CC(=O)c1cn(CCCN2C3CCC2CC(Oc2ccc(F)cc2)C3)c2c(Cl)cccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 1/20 0.42
HTR3A P46098 6/20 0.39
CNR2 P34972 2/20 0.39
POLB P06746 1/20 0.38
OPRK1 P41145 3/20 0.38
KCNH2 Q12809 3/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 1/20 0.38
EPHX2 P34913 1/20 0.37
CFD P00746 2/20 0.37
SLC6A3 Q01959 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
DRD3 P35462 1/20 0.37
MEN1 O00255 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL5441869 0.93 PRPS1 (0.43) PRPS1HTR3ACNR2OPRK1KCNH2
SCHEMBL5446551 0.90 HTR3A (0.39) HTR3ACNR2POLBOPRK1KCNH2
SCHEMBL5449100 0.90 CNR2 (0.41) HTR3ACNR2POLBOPRK1KCNH2
SCHEMBL5454392 0.90 PRPS1 (0.42) PRPS1HTR3ACNR2POLBOPRK1
SCHEMBL5452598 0.89 PRPS1 (0.43) PRPS1HTR3ACNR2OPRK1KCNH2
SCHEMBL5449994 0.87 OPRM1 (0.38) HTR3ACNR2POLBOPRK1KCNH2
SCHEMBL14410930 0.87 CNR2 (0.44) CNR2KMT2ASMN1; SMN2
SCHEMBL14412153 0.87 CNR2 (0.44) CNR2KMT2ASMN1; SMN2
SCHEMBL14410856 0.87 CNR2 (0.44) CNR2KMT2ASMN1; SMN2
SCHEMBL5455254 0.86 PRPS1 (0.43) PRPS1CNR2POLBEPHX2

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 PRPS1 4276/4885HTR3A 373/4885CNR2 106/4885

“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.