SCHEMBL5450158

SCHEMBL5450158

CC(C)Oc1cccc2c(C(=O)NCc3ccc(Cl)c(Cl)c3)cn(CCCN3CCN(CCN(C(C)C)C(C)C)CC3)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
CNR1 P21554 4/20 0.40
FSCN1 Q16658 1/20 0.40
WDR5 P61964 1/20 0.39
APEX1 P27695 1/20 0.39
PDE10A Q9Y233 1/20 0.38
RORC P51449 1/20 0.36
KMT2A Q03164 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL5450020 0.93 CNR2 (0.48) CNR2CNR1APEX1PDE10AKMT2A
SCHEMBL5453859 0.89 CNR2 (0.42) CNR2PDE10ARORCALDH1A1
SCHEMBL5462928 0.89 CNR2 (0.44) CNR2CNR1FSCN1APEX1ALDH1A1
SCHEMBL5459780 0.89 CNR2 (0.46) CNR2CNR1FSCN1APEX1PDE10A
SCHEMBL5451250 0.89 CNR1 (0.43) CNR2CNR1FSCN1APEX1PDE10A
SCHEMBL5451293 0.87 CNR2 (0.42) CNR2CNR1FSCN1APEX1ALDH1A1
SCHEMBL14412045 0.87 CNR2 (0.42) CNR2CNR1FSCN1APEX1PDE10A
SCHEMBL5446369 0.87 PTPN7 (0.44) CNR2CNR1FSCN1APEX1ALDH1A1
SCHEMBL5463426 0.87 CNR2 (0.45) CNR2CNR1FSCN1APEX1PDE10A
SCHEMBL5440849 0.86 CNR2 (0.40) CNR2CNR1FSCN1APEX1PDE10A

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 CNR2 106/4885CNR1 65/4885FSCN1 4090/4885

“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.