SCHEMBL5454517

SCHEMBL5454517

CCCCC1CCN(CCCCn2cc(C(C)=O)c3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.54
CNR1 P21554 8/20 0.54
CHRM1 P11229 2/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM5 P08912 1/20 0.53
ADRA2A P08913 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD4 P21917 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
HRH1 P35367 1/20 0.53
ADRA1B P35368 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CREBBP Q92793 2/20 0.51
KMT2A Q03164 1/20 0.49

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
SCHEMBL5335371 0.98 CHRM1 (0.53) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL5454810 0.95 CNR2 (0.54) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL5454980 0.94 CNR2 (0.52) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL5450012 0.88 CNR1 (0.56) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL5444289 0.87 CHRM1 (0.51) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL5462715 0.85 CNR2 (0.51) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5451025 0.85 HTR7 (0.61) CNR2SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5440790 0.85 CHRM1 (0.52) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL14411256 0.85 KAT2B (0.57) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL5448593 0.84 ACHE (0.50) CNR2CNR1CHRM1CHRM2CHRM4

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 106/4885CNR1 65/4885CHRM1 1153/4885

“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.