SCHEMBL5448407

SCHEMBL5448407

COc1cccc2c(C(=O)NCc3cccc(Cl)c3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.50
SCD O00767 3/20 0.48
CNR2 P34972 9/20 0.46
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR4 Q13639 2/20 0.42
CNR1 P21554 2/20 0.41

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
SCHEMBL5463014 0.93 SCD (0.47) PDE10ASCDCNR2HTR4CNR1
SCHEMBL5440891 0.92 PDE10A (0.51) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5460619 0.91 PDE10A (0.50) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5460328 0.90 PDE10A (0.49) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5451298 0.89 PDE10A (0.51) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5441980 0.88 PDE10A (0.47) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5440647 0.88 PDE10A (0.51) PDE10ASCDCNR2
SCHEMBL5454644 0.88 PDE10A (0.51) PDE10ACNR2MEN1USP2ALDH1A1
SCHEMBL5463321 0.87 SCD (0.48) SCDCNR2HTR4CNR1
SCHEMBL5445470 0.86 CNR2 (0.53) PDE10ACNR2MEN1USP2ALDH1A1

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 PDE10A 514/4885SCD 1005/4885CNR2 106/4885

“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.