SCHEMBL5450027

SCHEMBL5450027

COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(Oc4cccc(Cl)c4)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR2 P34972 9/20 0.42
CNR1 P21554 4/20 0.42
CCR3 P51677 1/20 0.41
HTR2A P28223 1/20 0.41
GRM2 Q14416 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL5444177 0.92 ALDH1A1 (0.48) ALDH1A1MAPTNPSR1CNR2CNR1
SCHEMBL5456447 0.89 CNR2 (0.49) ALDH1A1MAPTNPSR1CNR2CNR1
SCHEMBL5454713 0.89 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1CNR2CNR1
SCHEMBL5450875 0.89 CNR2 (0.47) MAPTCNR2CNR1CCR3HRH3
SCHEMBL5449049 0.87 CNR2 (0.53) CNR2CCR3HRH3MEN1KMT2A
SCHEMBL5440891 0.86 PDE10A (0.51) ALDH1A1CNR2CNR1CCR3MEN1
SCHEMBL5454512 0.86 CNR2 (0.46) ALDH1A1MAPTCNR2CNR1CCR3
SCHEMBL5441980 0.84 PDE10A (0.47) ALDH1A1MAPTCNR2CNR1CCR3
SCHEMBL14410854 0.84 CNR2 (0.44) CNR2CNR1KMT2A
SCHEMBL5443670 0.84 HRH3 (0.43) CNR1CCR3HRH3

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 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.