SCHEMBL5449100

SCHEMBL5449100

CCc1cccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.41
HTR3A P46098 8/20 0.39
SLC6A3 Q01959 3/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.38
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
OPRM1 P35372 2/20 0.38

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
SCHEMBL5446551 0.90 HTR3A (0.39) CNR2HTR3ASLC6A3DRD2DRD4
SCHEMBL5454392 0.90 PRPS1 (0.42) CNR2HTR3ASLC6A3DRD2DRD4
SCHEMBL5452412 0.90 PRPS1 (0.42) CNR2HTR3ASLC6A3DRD2DRD4
SCHEMBL5449994 0.87 OPRM1 (0.38) CNR2HTR3ASLC6A3DRD2DRD4
SCHEMBL5449148 0.85 KCNH2 (0.40) CNR2HTR3AKMT2ASMN1; SMN2OPRM1
SCHEMBL14410930 0.84 CNR2 (0.44) CNR2KMT2ASMN1; SMN2
SCHEMBL14412153 0.84 CNR2 (0.44) CNR2KMT2ASMN1; SMN2
SCHEMBL14410856 0.84 CNR2 (0.44) CNR2KMT2ASMN1; SMN2
SCHEMBL14410942 0.83 HTR3A (0.55) CNR2HTR3A
SCHEMBL5441869 0.82 PRPS1 (0.43) CNR2HTR3ATP53SMN1; SMN2OPRM1

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 106/4885HTR3A 373/4885SLC6A3 1022/4885

“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.