SCHEMBL5455008

SCHEMBL5455008

COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.54
KDM4E B2RXH2 4/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.43
SLC29A1 Q99808 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
PKM P14618 1/20 0.41
ADRA1D P25100 1/20 0.40

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
SCHEMBL5441745 0.90 CNR2 (0.54) CNR2KDM4EALOX15KMT2AALDH1A1
SCHEMBL5454615 0.89 CNR2 (0.67) CNR2KMT2AALDH1A1SLC29A1SIGMAR1
SCHEMBL14410865 0.89 CNR2 (0.46) CNR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL5446793 0.89 CNR2 (0.48) CNR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL14464353 0.88 KMT2A (0.47) CNR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL5446352 0.87 ALDH1A1 (0.49) CNR2KMT2AALDH1A1MEN1
SCHEMBL5446388 0.86 CNR2 (0.51) CNR2KMT2AMEN1
SCHEMBL5454964 0.85 PDE10A (0.49) CNR2KDM4EKMT2AALDH1A1MEN1
SCHEMBL5453707 0.84 PDE10A (0.46) CNR2KDM4E
SCHEMBL5449199 0.83 CNR2 (0.47) CNR2PKM

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 CNR2 106/4885KDM4E 3327/4885ALOX15 2011/4885

“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.