SCHEMBL5451975

SCHEMBL5451975

Cc1cccc(CNC(=O)c2cn(CCCN3CCN(CCCOc4ccccc4)CC3)c3c(OC(C)C)cccc23)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.46
CNR2 P34972 2/20 0.45
MET P08581 2/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ICMT O60725 1/20 0.39
PDE10A Q9Y233 2/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL5444227 0.98 PTPN7 (0.44) PTPN7CNR2METALDH1A1SMN1; SMN2
SCHEMBL5441547 0.98 PTPN7 (0.47) PTPN7CNR2METALDH1A1SMN1; SMN2
SCHEMBL14412060 0.96 PTPN7 (0.46) PTPN7CNR2METKDM4E
SCHEMBL5463119 0.92 PTPN7 (0.42) PTPN7CNR2MAOB
SCHEMBL5451967 0.92 CNR2 (0.50) PTPN7CNR2METPDE10ATHRB
SCHEMBL5448680 0.92 CNR2 (0.46) CNR2ALDH1A1PDE10AKDM4ETHRB
SCHEMBL5451197 0.91 PTPN7 (0.40) PTPN7CNR2METALDH1A1PDE10A
SCHEMBL5448149 0.90 MET (0.40) PTPN7CNR2METPDE10A
SCHEMBL5462928 0.90 CNR2 (0.44) PTPN7CNR2METALDH1A1SMN1; SMN2
SCHEMBL5446864 0.89 CNR2 (0.45) CNR2ALDH1A1PDE10AKDM4EHPGD

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 PTPN7 592/4885CNR2 106/4885MET 205/4885

“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.