SCHEMBL5453087

SCHEMBL5453087

CC(=O)c1cn(CCCN2CCC(Oc3cccc(Cl)c3)CC2)c2c(Br)cccc12

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.42
PRPS1 P60891 1/20 0.42
HRH2 P25021 1/20 0.41
CCR3 P51677 1/20 0.39
BCHE P06276 1/20 0.39
CNR1 P21554 1/20 0.39
EPHX2 P34913 1/20 0.38
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 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
SCHEMBL5453021 0.92 PRPS1 (0.43) HRH3PRPS1HRH2CCR3BCHE
SCHEMBL5443670 0.91 HRH3 (0.43) HRH3PRPS1CCR3BCHECNR1
SCHEMBL5444403 0.90 HRH3 (0.43) HRH3HRH2CCR3BCHECNR1
SCHEMBL5460440 0.90 HRH3 (0.42) HRH3CCR3BCHEEPHX2FPR2
SCHEMBL14410919 0.87 CCR3 (0.43) HRH3CCR3BCHEEPHX2
SCHEMBL14411850 0.87 PRPS1 (0.43) PRPS1HRH2CCR3BCHECNR1
SCHEMBL14463811 0.86 PRPS1 (0.42) HRH3PRPS1HRH2CNR1MAOA
SCHEMBL5481603 0.86 HRH2 (0.46) PRPS1HRH2CNR1
SCHEMBL5435101 0.84 HRH3 (0.44) HRH3CCR3CNR1FPR2PROKR1
SCHEMBL5451283 0.83 PRPS1 (0.44) HRH3PRPS1CCR3BCHECNR1

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 HRH3 527/4885PRPS1 4276/4885HRH2 418/4885

“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.