SCHEMBL5452082

SCHEMBL5452082

CCC(=O)c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
HTR7 P34969 4/20 0.56
CNR2 P34972 3/20 0.54
KCNH2 Q12809 1/20 0.52
KMT2A Q03164 1/20 0.52
CNR1 P21554 2/20 0.50
OPRM1 P35372 2/20 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
SCHEMBL14411640 0.90 HTR7 (0.58) HTR7CNR2KCNH2
SCHEMBL5451025 0.88 HTR7 (0.61) HTR7CNR2KCNH2
SCHEMBL5450012 0.87 CNR1 (0.56) L3MBTL1CNR2KMT2ACNR1
SCHEMBL5450951 0.85 HTR7 (0.55) HTR7CNR2
SCHEMBL5452863 0.84 KCNH2 (0.57) L3MBTL1CNR2KCNH2KMT2ACNR1
SCHEMBL14412209 0.84 HTR7 (0.52) HTR7CNR2KCNH2KMT2AOPRM1
SCHEMBL5446903 0.83 CREBBP (0.56) HTR7CNR2CNR1
SCHEMBL14411478 0.83 HTR7 (0.51) HTR7CNR2CNR1
SCHEMBL5460398 0.81 L3MBTL1 (0.56) L3MBTL1CNR2KMT2ACNR1
SCHEMBL5451082 0.81 MAPK1 (0.60) L3MBTL1CNR2KMT2ACNR1

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 L3MBTL1 4494/4885HTR7 269/4885CNR2 106/4885

“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.