SCHEMBL5454738

SCHEMBL5454738

COc1ccccc1C1CCN(CCCn2cc(C(=O)NCC(C)C)c3cccc(OC)c32)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.50
CACNA1G O43497 1/20 0.47
KCNH2 Q12809 1/20 0.47
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
CNR1 P21554 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL5396542 0.87 CNR2 (0.51) CNR2KCNH2CNR1
SCHEMBL5451529 0.86 CNR2 (0.57) CNR2CNR1
SCHEMBL14410967 0.86 DRD2 (0.52) CNR2CACNA1GKCNH2DRD2DRD4
SCHEMBL5463321 0.85 SCD (0.48) CNR2CNR1
SCHEMBL5448774 0.85 DRD4 (0.53) CNR2DRD2DRD4CNR1MEN1
SCHEMBL5454644 0.85 PDE10A (0.51) CNR2DRD2DRD4CNR1MEN1
SCHEMBL5448709 0.85 MAPT (0.48) CNR2KMT2A
SCHEMBL5460386 0.85 CNR2 (0.47) CNR2CNR1
SCHEMBL5456337 0.84 ALDH1A1 (0.54) CNR2CACNA1GKCNH2DRD2CNR1
SCHEMBL5450940 0.84 CNR2 (0.52) CNR2CACNA1GKCNH2DRD2DRD4

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 4 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
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO 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 106/4885CACNA1G 2900/4885KCNH2 4294/4885

“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.