SCHEMBL5453982

SCHEMBL5453982

COc1ccc2c(c1)c(C(C)=O)cn2CCCN1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.49
CNR1 P21554 4/20 0.42
HRH2 P25021 2/20 0.42
CCR3 P51677 1/20 0.42
CFD P00746 2/20 0.42
PKM P14618 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
PIK3CG P48736 2/20 0.41
MCHR1 Q99705 1/20 0.40

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
SCHEMBL5453706 0.94 CNR2 (0.49) CNR2CNR1CCR3CFDPKM
SCHEMBL14411198 0.91 CNR2 (0.49) CNR2CNR1HRH2CFDPKM
SCHEMBL5444498 0.89 CNR2 (0.45) CNR2CNR1HRH2CCR3HTR2A
SCHEMBL5344053 0.88 SMN1; SMN2 (0.53) CNR2PKMHTR2A
SCHEMBL5462877 0.88 HRH2 (0.47) CNR2CNR1HRH2CCR3CFD
SCHEMBL5446583 0.86 CNR2 (0.41) CNR2CNR1CFDPKM
SCHEMBL5455261 0.85 CNR2 (0.49) CNR2CNR1HRH2CCR3CFD
SCHEMBL5452607 0.85 PRPS1 (0.43) CNR2CNR1
SCHEMBL5462884 0.82 CNR2 (0.46) CNR2CNR1HRH2CCR3CFD
SCHEMBL5444404 0.82 KMT2A (0.42) CNR2CNR1CCR3CFDHTR2A

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 65/4885HRH2 418/4885

“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.