SCHEMBL5444353

SCHEMBL5444353

COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCC(CCOc4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.44
PDE10A Q9Y233 2/20 0.41
CXCR4 P61073 2/20 0.40
HTR4 Q13639 2/20 0.40
CNR1 P21554 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCR2 P41597 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
SCHEMBL5457390 0.94 PDE10A (0.48) CNR2PDE10AHTR4CNR1MEN1
SCHEMBL5452292 0.94 CNR2 (0.46) CNR2PDE10ACXCR4CNR1MEN1
SCHEMBL5444330 0.92 PDE10A (0.44) CNR2PDE10AMEN1KMT2AKDM4E
SCHEMBL5445455 0.89 CNR2 (0.44) CNR2PDE10ACXCR4CNR1
SCHEMBL5452013 0.87 CNR2 (0.46) CNR2HTR4CNR1
SCHEMBL5448700 0.87 CNR2 (0.54) CNR2PDE10ACXCR4CNR1
SCHEMBL5446497 0.87 CNR2 (0.45) CNR2HTR4CNR1MEN1KMT2A
SCHEMBL5448697 0.87 PDE10A (0.48) CNR2PDE10AMEN1KMT2AKDM4E
SCHEMBL5463119 0.86 PTPN7 (0.42) CNR2
SCHEMBL5455433 0.86 PDE10A (0.51) CNR2PDE10AMEN1KMT2AALDH1A1

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 106/4885PDE10A 514/4885CXCR4 849/4885

“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.