SCHEMBL5452514

SCHEMBL5452514

COc1cccc2c(C(=O)C3CC3)cn(CCCN3C4CCC3CC(Oc3ccc(F)cc3)C4)c12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CNR1 P21554 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTR2A P28223 1/20 0.40
GRM2 Q14416 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL5454582 0.93 MAPT (0.47) CNR2MAPTALDH1A1NPSR1CNR1
SCHEMBL5455101 0.88 CNR2 (0.47) CNR2CNR1
SCHEMBL5453559 0.88 ALDH1A1 (0.50) CNR2MAPTALDH1A1NPSR1CNR1
SCHEMBL5454742 0.87 CNR2 (0.60) CNR2
SCHEMBL5456447 0.86 CNR2 (0.49) CNR2MAPTALDH1A1NPSR1CNR1
SCHEMBL5452000 0.86 CNR2 (0.48) CNR2CNR1
SCHEMBL14411891 0.85 CNR2 (0.49) CNR2MAPTALDH1A1NPSR1CNR1
SCHEMBL14411856 0.85 CNR2 (0.49) CNR2MAPTALDH1A1NPSR1CNR1
SCHEMBL14410930 0.85 CNR2 (0.44) CNR2CNR1KMT2A
SCHEMBL14412153 0.85 CNR2 (0.44) CNR2CNR1KMT2A

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 3 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

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 106/4885MAPT 4523/4885ALDH1A1 2963/4885

“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.