SCHEMBL5454526

SCHEMBL5454526

COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(Oc4ccc(Cl)cc4)CC3)c12

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.47
CNR1 P21554 6/20 0.43
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
C5AR1 P21730 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL5453439 0.93 CNR2 (0.49) CNR2CNR1MEN1KMT2A
SCHEMBL5450875 0.93 CNR2 (0.47) CNR2CNR1MAPTCCR3
SCHEMBL5448060 0.91 CNR2 (0.45) CNR2CNR1TP53MAPT
SCHEMBL5446832 0.90 CNR2 (0.49) CNR2CNR1
SCHEMBL14410854 0.90 CNR2 (0.44) CNR2CNR1KMT2A
SCHEMBL5444177 0.88 ALDH1A1 (0.48) CNR2CNR1TP53MAPTMEN1
SCHEMBL14464383 0.87 CNR2 (0.46) CNR2CNR1TP53MAPT
SCHEMBL5463315 0.87 CNR2 (0.46) CNR2CNR1TP53MAPT
SCHEMBL5445308 0.87 KCNA5 (0.51) CNR2CNR1MEN1KMT2A
SCHEMBL5450949 0.84 CNR2 (0.46) CNR2CNR1CCR3

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 65/4885TP53 3721/4885

“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.