SCHEMBL5451027

SCHEMBL5451027

COc1ccc2c(C(C)=O)cn(CCCN3C4CCC3CC(Oc3ccc(Cl)cc3)C4)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.41
CNR1 P21554 4/20 0.41
CFD P00746 3/20 0.41
PKM P14618 1/20 0.41
PRPS1 P60891 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 1/20 0.38
HTR3A P46098 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
OPRK1 P41145 2/20 0.36
KCNH2 Q12809 2/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL5446583 0.95 CNR2 (0.41) CNR2CNR1CFDPKMSMN1; SMN2
SCHEMBL5446726 0.90 PRPS1 (0.42) CNR2CNR1PRPS1SMN1; SMN2KMT2A
SCHEMBL5454571 0.88 SMN1; SMN2 (0.51) CNR2PKMSMN1; SMN2KMT2AHTR3A
SCHEMBL14410850 0.88 SMN1; SMN2 (0.51) CNR2PKMSMN1; SMN2KMT2AHTR3A
SCHEMBL14411761 0.88 SMN1; SMN2 (0.51) CNR2PKMSMN1; SMN2KMT2AHTR3A
SCHEMBL14411543 0.88 SMN1; SMN2 (0.51) CNR2PKMSMN1; SMN2KMT2AHTR3A
SCHEMBL14411174 0.87 CFD (0.39) CNR2CNR1CFDPKMPRPS1
SCHEMBL5460350 0.86 SMN1; SMN2 (0.51) CNR2CNR1PKMSMN1; SMN2KMT2A
SCHEMBL5453706 0.86 CNR2 (0.49) CNR2CNR1CFDPKMPRPS1
SCHEMBL5462903 0.85 CHRM2 (0.45) CNR2CNR1CFDPKMSMN1; SMN2

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 CNR2 106/4885CNR1 65/4885CFD 3529/4885

“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.