SCHEMBL5446388

SCHEMBL5446388

COc1cccc2c(C(=O)Cc3ccccc3)cn(CCCN3CCCC(Cc4ccccc4Cl)C3)c12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.51
CHRNB2 P17787 3/20 0.47
CHRNB4 P30926 3/20 0.47
CHRNA3 P32297 3/20 0.47
CHRNA4 P43681 3/20 0.47
CNR1 P21554 11/20 0.44
HTR2A P28223 1/20 0.43
CCR3 P51677 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5446527 0.89 CNR1 (0.47) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5452640 0.89 ALDH1A1 (0.48) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5455008 0.86 CNR2 (0.54) CNR2MEN1KMT2A
SCHEMBL5451547 0.86 PDE10A (0.47) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5378744 0.85 CNR2 (0.44) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5453735 0.83 CNR2 (0.51) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14464377 0.82 CHRNB2 (0.42) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5443022 0.81 PRPS1 (0.45) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5454463 0.81 TSHR (0.46) CNR2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5448730 0.80 CNR1 (0.42) CNR2CHRNB2CHRNB4CHRNA3CHRNA4

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 106/4885CHRNB2 1071/4885CHRNB4 1296/4885

“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.