SCHEMBL5451283

SCHEMBL5451283

CC(=O)c1cn(CCCN2CCC(Oc3ccc(Cl)cc3)CC2)c2c(Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 1/20 0.44
CNR1 P21554 1/20 0.40
HRH3 Q9Y5N1 5/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
CCR3 P51677 1/20 0.39
NPY1R P25929 1/20 0.39
HTR1A P08908 1/20 0.38
HTR6 P50406 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
EPHX2 P34913 1/20 0.38
TP53 P04637 1/20 0.38
BCHE P06276 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
SCHEMBL5455254 0.93 PRPS1 (0.43) PRPS1CNR1HTR2AHTR7CCR3
SCHEMBL5446425 0.92 CNR1 (0.40) CNR1HRH3HTR2AHTR7NPY1R
SCHEMBL5443670 0.92 HRH3 (0.43) PRPS1CNR1HRH3CCR3EPHX2
SCHEMBL5453021 0.91 PRPS1 (0.43) PRPS1CNR1HRH3HTR2AHTR7
SCHEMBL14410854 0.90 CNR2 (0.44) CNR1
SCHEMBL5450044 0.89 PRPS1 (0.44) PRPS1CNR1HRH3TP53
SCHEMBL5460659 0.88 PRPS1 (0.45) PRPS1CNR1
SCHEMBL5344053 0.87 SMN1; SMN2 (0.53) HTR2AHTR7NPY1RTP53
SCHEMBL5444433 0.86 HRH3 (0.46) PRPS1HRH3SIGMAR1TP53
SCHEMBL5441869 0.85 PRPS1 (0.43) PRPS1CNR1TP53

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 PRPS1 4276/4885CNR1 65/4885HRH3 527/4885

“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.