SCHEMBL5448706

SCHEMBL5448706

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
HRH3 Q9Y5N1 11/20 0.39
DRD4 P21917 1/20 0.36
SLC6A12 P48065 1/20 0.36
SLC6A11 P48066 1/20 0.36
GALR3 O60755 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
CHEK2 O96017 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL14464362 0.91 ALDH1A1 (0.35) HRH3GALR3ALDH1A1RAB9ACHRNB2
SCHEMBL5450044 0.89 PRPS1 (0.44) DPP4HRH3SLC6A12SLC6A11KDM2B
SCHEMBL5468063 0.89 HRH3 (0.41) DPP4HRH3DRD4SLC6A12SLC6A11
SCHEMBL5462912 0.88 HRH3 (0.41) DPP4HRH3DRD4SLC6A12SLC6A11
SCHEMBL5446841 0.88 PRPS1 (0.42) DPP4HRH3ALDH1A1CHEK2ESR1
SCHEMBL14410919 0.83 CCR3 (0.43) HRH3GALR3ALDH1A1RAB9A
SCHEMBL5455028 0.82 HRH3 (0.43) HRH3ALDH1A1
SCHEMBL5456550 0.82 MEN1 (0.45) HRH3ALDH1A1
SCHEMBL5452267 0.81 TSHR (0.40) DPP4HRH3DRD4ESR1
SCHEMBL5332049 0.81 HRH3 (0.42) HRH3ALDH1A1

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 DPP4 1657/4885HRH3 527/4885DRD4 4022/4885

“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.