SCHEMBL5453706

SCHEMBL5453706

COc1ccc2c(C(C)=O)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
CNR1 P21554 4/20 0.49
CCR3 P51677 1/20 0.42
PKM P14618 1/20 0.42
PRPS1 P60891 1/20 0.42
MCHR1 Q99705 1/20 0.40
CFD P00746 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HRH3 Q9Y5N1 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL5453982 0.94 CNR2 (0.49) CNR2CNR1CCR3PKMMCHR1
SCHEMBL5455261 0.91 CNR2 (0.49) CNR2CNR1CCR3PKMCFD
SCHEMBL5452607 0.90 PRPS1 (0.43) CNR2CNR1PRPS1MAOAMAOB
SCHEMBL5344053 0.88 SMN1; SMN2 (0.53) CNR2PKMHTR2ASMN1; SMN2KMT2A
SCHEMBL5462884 0.88 CNR2 (0.46) CNR2CNR1CCR3PKMCFD
SCHEMBL5451027 0.86 CNR2 (0.41) CNR2CNR1PKMPRPS1CFD
SCHEMBL14411198 0.85 CNR2 (0.49) CNR2CNR1PKMCFDHTR2A
SCHEMBL5448665 0.84 CNR2 (0.49) CNR2CNR1PKMHTR2AHTR2C
SCHEMBL5444498 0.84 CNR2 (0.45) CNR2CNR1CCR3HTR2AHTR2C
SCHEMBL5462877 0.82 HRH2 (0.47) CNR2CNR1CCR3PKMCFD

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 65/4885CCR3 1400/4885

“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.