SCHEMBL5444237

SCHEMBL5444237

COc1cccc2c(C(=O)NCc3cccc(C)c3)cn(CCCN3CCCN(Cc4c(F)cccc4Cl)CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ACHE P22303 1/20 0.42
PDE10A Q9Y233 3/20 0.42
CNR2 P34972 5/20 0.42
SIGMAR1 Q99720 2/20 0.41
CACNA1G O43497 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
CHRM3 P20309 1/20 0.39
CFD P00746 1/20 0.39
CXCR4 P61073 1/20 0.39

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
SCHEMBL5451427 0.94 PDE10A (0.48) GAAACHEPDE10ACNR2SIGMAR1
SCHEMBL14412039 0.93 GAA (0.42) GAAACHEPDE10ACNR2SIGMAR1
SCHEMBL5442816 0.92 CNR2 (0.43) GAAACHEPDE10ACNR2SIGMAR1
SCHEMBL5454500 0.91 CNR2 (0.48) PDE10ACNR2LMNACHRM3
SCHEMBL5453707 0.89 PDE10A (0.46) PDE10ACNR2LMNACHRM3CXCR4
SCHEMBL5453582 0.89 PDE10A (0.43) GAAACHEPDE10ACNR2SIGMAR1
SCHEMBL14412046 0.85 SIGMAR1 (0.40) GAAACHEPDE10ACNR2SIGMAR1
SCHEMBL5448906 0.85 CNR2 (0.48) PDE10ACNR2LMNACHRM3
SCHEMBL5454578 0.85 PDE10A (0.51) PDE10ACNR2SIGMAR1ALDH1A1CHRM3
SCHEMBL5454797 0.85 CNR2 (0.50) GAAPDE10ACNR2ALDH1A1ROCK2

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 GAA 1095/4885ACHE 3240/4885PDE10A 514/4885

“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.