SCHEMBL5454713

SCHEMBL5454713

COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CNR2 P34972 12/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 6/20 0.43
HTR2A P28223 1/20 0.42
GRM2 Q14416 1/20 0.42
PRPS1 P60891 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
SCHEMBL14410851 0.92 CNR2 (0.46) ALDH1A1MAPTNPSR1CNR2KMT2A
SCHEMBL5444177 0.90 ALDH1A1 (0.48) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5446832 0.90 CNR2 (0.49) CNR2CNR1
SCHEMBL5450027 0.89 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5456447 0.88 CNR2 (0.49) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5453559 0.86 ALDH1A1 (0.50) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5463321 0.86 SCD (0.48) CNR2CNR1
SCHEMBL5447876 0.85 ALDH1A1 (0.55) ALDH1A1MAPTNPSR1CNR2MEN1
SCHEMBL5460659 0.85 PRPS1 (0.45) CNR2KMT2ACNR1PRPS1
SCHEMBL5456337 0.85 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1CNR2MEN1

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 ALDH1A1 2963/4885MAPT 4523/4885NPSR1 33/4885

“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.