SCHEMBL5457534

SCHEMBL5457534

CC(C)CC(=O)c1cn(CCCN2CCC(Oc3ccccc3Cl)CC2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.46
CNR2 P34972 9/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HRH2 P25021 1/20 0.42
CNR1 P21554 3/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14411153 0.90 KMT2A (0.50) HTR3ACNR2ALDH1A1MAPTNPSR1
SCHEMBL14410848 0.88 SMN1; SMN2 (0.53) HTR3ACNR2ALDH1A1MAPTNPSR1
SCHEMBL5450872 0.88 CNR2 (0.47) HTR3ACNR2
Hydrochloric Acid SCHEMBL5455004 0.87 SMN1; SMN2 (0.52) HTR3ACNR2ALDH1A1MAPTNPSR1
SCHEMBL5448703 0.86 SMN1; SMN2 (0.53) HTR3ACNR2ALDH1A1MAPTNPSR1
SCHEMBL5446439 0.86 CNR2 (0.47) HTR3ACNR2ALDH1A1MAPTNPSR1
SCHEMBL14464444 0.86 PTPN7 (0.48) HTR3ACNR2ALDH1A1MAPTNPSR1
SCHEMBL5441604 0.84 KDM4E (0.46) HTR3ACNR2ALDH1A1MAPTNPSR1
SCHEMBL14412212 0.83 MAPT (0.47) HTR3ACNR2ALDH1A1MAPTNPSR1
SCHEMBL5445683 0.83 CNR2 (0.47) HTR3ACNR2ALDH1A1MAPTNPSR1

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 HTR3A 373/4885CNR2 106/4885ALDH1A1 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.