SCHEMBL5450872

SCHEMBL5450872

CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.47
TP53 P04637 1/20 0.46
HTR3A P46098 4/20 0.44
NPY1R P25929 1/20 0.42
F10 P00742 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL5446439 0.91 CNR2 (0.47) CNR2HTR3A
SCHEMBL5344053 0.88 SMN1; SMN2 (0.53) CNR2TP53NPY1RHTR2AHTR7
SCHEMBL5457534 0.88 HTR3A (0.46) CNR2HTR3A
SCHEMBL5453740 0.86 HTR3A (0.51) CNR2TP53HTR3ATHRBRXFP1
SCHEMBL5464700 0.84 IDO1 (0.47) CNR2TP53HTR3ANPY1RHTR2A
SCHEMBL5445683 0.83 CNR2 (0.47) CNR2HTR3A
SCHEMBL5463074 0.81 CNR2 (0.52) CNR2HTR3A
SCHEMBL14463749 0.80 CNR2 (0.48) CNR2HTR3AHTR2AHTR7
SCHEMBL5446450 0.79 HDAC1 (0.54) CNR2TP53
SCHEMBL14410846 0.79 SMN1; SMN2 (0.53) CNR2HTR3A

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 106/4885TP53 3721/4885HTR3A 373/4885

“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.