SCHEMBL5450044

SCHEMBL5450044

CC(=O)c1cn(CCCN2CCCC(Oc3ccc(Cl)cc3)C2)c2c(Cl)cccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 1/20 0.44
HRH3 Q9Y5N1 11/20 0.42
CNR1 P21554 1/20 0.40
SLC6A12 P48065 1/20 0.39
SLC6A11 P48066 1/20 0.39
KDM2B Q8NHM5 2/20 0.38
TP53 P04637 1/20 0.38
DPP4 P27487 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL5468063 0.92 HRH3 (0.41) HRH3CNR1SLC6A12SLC6A11DPP4
SCHEMBL5462912 0.92 HRH3 (0.41) HRH3SLC6A12SLC6A11KDM2BDPP4
SCHEMBL5446841 0.92 PRPS1 (0.42) PRPS1HRH3CNR1DPP4CHEK2
SCHEMBL5451283 0.89 PRPS1 (0.44) PRPS1HRH3CNR1TP53
SCHEMBL5448706 0.89 DPP4 (0.40) HRH3SLC6A12SLC6A11KDM2BDPP4
SCHEMBL5455028 0.85 HRH3 (0.43) HRH3CNR1
SCHEMBL5457449 0.84 ALDH1A1 (0.45) CNR1KDM2BTP53
SCHEMBL5441869 0.82 PRPS1 (0.43) PRPS1CNR1TP53
SCHEMBL5455254 0.82 PRPS1 (0.43) PRPS1CNR1
SCHEMBL5443670 0.81 HRH3 (0.43) PRPS1HRH3CNR1

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 4276/4885HRH3 527/4885CNR1 65/4885

“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.