SCHEMBL5454980

SCHEMBL5454980

CCCCCCC1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.52
CNR1 P21554 8/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CHRM1 P11229 2/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD4 P21917 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
ADRA1B P35368 1/20 0.49
CREBBP Q92793 1/20 0.49
KMT2A Q03164 1/20 0.47

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 0.96 CHRM1 (0.53) CNR2CNR1SMN1; SMN2ALDH1A1CHRM1
SCHEMBL5454517 0.94 CNR2 (0.54) CNR2CNR1SMN1; SMN2ALDH1A1CHRM1
SCHEMBL5454810 0.91 CNR2 (0.54) CNR2CNR1SMN1; SMN2ALDH1A1CHRM1
SCHEMBL5450012 0.87 CNR1 (0.56) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL5462715 0.86 CNR2 (0.51) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5444289 0.85 CHRM1 (0.51) CNR2CNR1CHRM1CHRM2CHRM4
SCHEMBL14463824 0.84 CNR2 (0.57) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5418358 0.84 SMN1; SMN2 (0.59) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL5448708 0.83 SMN1; SMN2 (0.55) CNR2CNR1SMN1; SMN2ALDH1A1CREBBP
SCHEMBL14411640 0.83 HTR7 (0.58) CNR2SMN1; SMN2ALDH1A1CREBBP

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 65/4885SMN1; SMN2 1701/4885

“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.