SCHEMBL5451200

SCHEMBL5451200

COc1ccc2c(C(C)=O)cn(CCCN3CCC(C(=O)c4ccccc4)CC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.51
CNR1 P21554 3/20 0.51
KCNH2 Q12809 2/20 0.49
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
HTR2A P28223 3/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HRH2 P25021 1/20 0.43

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
SCHEMBL5460928 0.94 CNR2 (0.51) CNR2CNR1KCNH2PKMALDH1A1
SCHEMBL5427206 0.87 KCNH2 (0.51) CNR2CNR1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL14411329 0.86 KCNH2 (0.57) CNR2CNR1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL14411312 0.85 CNR2 (0.48) CNR2CNR1PKMALDH1A1SMN1; SMN2
SCHEMBL5448736 0.85 KCNH2 (0.60) CNR2CNR1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5444213 0.84 KCNH2 (0.52) CNR2KCNH2ALDH1A1MAPTHTR2A
SCHEMBL5451923 0.83 KCNH2 (0.51) CNR2CNR1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL5444486 0.83 HTR2A (0.52) CNR2CNR1KCNH2PKMALDH1A1
SCHEMBL5462884 0.82 CNR2 (0.46) CNR2CNR1PKMALDH1A1SMN1; SMN2
SCHEMBL5446375 0.81 CNR2 (0.50) CNR2CNR1PKMALDH1A1HTR2A

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 65/4885KCNH2 4294/4885

“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.