SCHEMBL5452085

SCHEMBL5452085

COc1cccc2c(C(=O)NCc3ccccc3C)cn(CCCN3CCN(CCc4ccccc4)CC3)c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.51
PDE10A Q9Y233 3/20 0.49
SIGMAR1 Q99720 2/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
KCNH2 Q12809 1/20 0.45
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR7 P34969 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5453856 0.98 CNR2 (0.49) CNR2PDE10ASIGMAR1POLBGAA
SCHEMBL5454595 0.89 PDE10A (0.49) CNR2PDE10AGAAALDH1A1ADRA1D
SCHEMBL5444434 0.89 CNR2 (0.52) CNR2PDE10ASIGMAR1POLBGAA
SCHEMBL5452079 0.89 PDE10A (0.48) CNR2PDE10AGAAALDH1A1HTR7
SCHEMBL14412025 0.88 PDE10A (0.55) CNR2PDE10APOLBGAAALDH1A1
SCHEMBL5450975 0.87 PDE10A (0.47) CNR2PDE10AGAAALDH1A1KDM4E
SCHEMBL5454797 0.87 CNR2 (0.50) CNR2PDE10APOLBGAAALDH1A1
SCHEMBL5454395 0.87 PDE10A (0.46) CNR2PDE10AGAAHTR7
SCHEMBL5451253 0.87 CNR2 (0.47) CNR2PDE10AALDH1A1KDM4ELMNA
SCHEMBL5453727 0.86 CNR2 (0.48) CNR2PDE10AALDH1A1HTR7MEN1

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 106/4885PDE10A 514/4885SIGMAR1 175/4885

“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.