SCHEMBL5456337

SCHEMBL5456337

COc1ccccc1C1CCN(CCCn2cc(C(=O)C3CC3)c3cccc(OC)c32)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
DRD2 P14416 1/20 0.50
CNR2 P34972 7/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CNR1 P21554 1/20 0.45
CACNA1G O43497 1/20 0.45
KCNH2 Q12809 1/20 0.45
HRH2 P25021 2/20 0.44
HTR2A P28223 1/20 0.44
GRM2 Q14416 1/20 0.44
ADRA1B P35368 1/20 0.44

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
SCHEMBL14410967 0.91 DRD2 (0.52) DRD2CNR2MEN1KMT2ACNR1
SCHEMBL5450940 0.88 CNR2 (0.52) DRD2CNR2MEN1KMT2ACNR1
SCHEMBL5447876 0.88 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5442997 0.85 KMT2A (0.49) DRD2CNR2MEN1KMT2ACACNA1G
SCHEMBL5454713 0.85 ALDH1A1 (0.52) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5443113 0.84 HRH2 (0.53) DRD2CNR2MEN1KMT2ACACNA1G
SCHEMBL5450970 0.84 CNR2 (0.53) ALDH1A1MAPTNPSR1DRD2CNR2
SCHEMBL5454738 0.84 CNR2 (0.50) DRD2CNR2MEN1KMT2ACNR1
SCHEMBL14464426 0.84 DRD2 (0.48) DRD2CNR2MEN1KMT2ACACNA1G
SCHEMBL14410989 0.84 HRH2 (0.54) DRD2CNR2MEN1KMT2ACACNA1G

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 ALDH1A1 2963/4885MAPT 4523/4885NPSR1 33/4885

“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.