SCHEMBL5454976

SCHEMBL5454976

O=C(C[C@@H]1C[C@H]2CC[C@@H](C1)N2)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
GSK3B P49841 2/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 2/20 0.44
SLC6A2 P23975 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL5454981 1.00 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5461455 0.84 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5461459 0.84 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5456646 0.84 CHRNA7 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5456649 0.84 CHRNA7 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5442986 0.84 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14410834 0.84 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5442983 0.84 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5449068 0.83 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5449063 0.83 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C

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 1 patent. 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

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 HTR3E 566/4885HTR3B 266/4885HTR3A 373/4885

“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.