SCHEMBL5452863

SCHEMBL5452863

CCC(=O)c1cn(CCCN2CCC(C(=O)c3ccccc3)CC2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
CNR2 P34972 8/20 0.54
CNR1 P21554 4/20 0.54
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTR2A P28223 1/20 0.49

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
SCHEMBL14411329 0.90 KCNH2 (0.57) KCNH2CNR2CNR1KMT2ANPSR1
SCHEMBL5440332 0.89 KCNH2 (0.52) KCNH2CNR2CNR1NPSR1ALDH1A1
SCHEMBL5448736 0.88 KCNH2 (0.60) KCNH2CNR2CNR1KMT2ANPSR1
SCHEMBL5451082 0.85 MAPK1 (0.60) CNR2CNR1KMT2AL3MBTL1NPSR1
SCHEMBL5454221 0.85 KDM4E (0.53) KCNH2CNR2CNR1NPSR1HTR2A
SCHEMBL5452082 0.84 L3MBTL1 (0.57) KCNH2CNR2CNR1KMT2AL3MBTL1
SCHEMBL5450012 0.82 CNR1 (0.56) CNR2CNR1KMT2AL3MBTL1
SCHEMBL5446732 0.80 KCNH2 (0.53) KCNH2CNR2HTR2A
SCHEMBL14411153 0.80 KMT2A (0.50) CNR2CNR1KMT2AL3MBTL1NPSR1
SCHEMBL5444213 0.79 KCNH2 (0.52) KCNH2CNR2ALDH1A1MAPTHTR2A

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 KCNH2 4294/4885CNR2 106/4885CNR1 65/4885

“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.