SCHEMBL5450031

SCHEMBL5450031

CC(=O)c1cn(CCCN2C3CCC2CC(CCc2ccccc2)C3)c2c(Cl)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRPS1 P60891 1/20 0.43
OPRM1 P35372 4/20 0.38
OPRD1 P41143 4/20 0.38
CNR1 P21554 1/20 0.37
OPRK1 P41145 1/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CHRNA7 P36544 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFD P00746 1/20 0.36
CNR2 P34972 1/20 0.36
CREBBP Q92793 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL14411888 1.00 PRPS1 (0.43) PRPS1OPRM1OPRD1CNR1OPRK1
SCHEMBL5462071 0.94 PRPS1 (0.42) PRPS1CNR1CFDCNR2DRD2
SCHEMBL5434116 0.90 TPSAB1 (0.40) OPRM1OPRD1CNR1OPRK1KCNH2
SCHEMBL14463737 0.90 TPSAB1 (0.40) OPRM1OPRD1CNR1OPRK1KCNH2
SCHEMBL5453912 0.89 PRPS1 (0.43) PRPS1OPRM1OPRD1CNR1OPRK1
SCHEMBL5448638 0.89 OPRM1 (0.38) OPRM1OPRD1CNR1OPRK1KCNH2
SCHEMBL14411897 0.89 PRPS1 (0.43) PRPS1OPRM1OPRD1CNR1OPRK1
SCHEMBL14463830 0.88 OPRM1 (0.37) OPRM1OPRD1OPRK1KCNH2ALDH1A1
SCHEMBL5449236 0.87 PRPS1 (0.44) PRPS1OPRM1OPRD1CNR1CFD
SCHEMBL14411139 0.87 PRPS1 (0.44) PRPS1OPRM1OPRD1CNR1CFD

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 PRPS1 4276/4885OPRM1 217/4885OPRD1 375/4885

“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.