SCHEMBL5449063

SCHEMBL5449063

O=C(C[C@@H]1C[C@H]2CC[C@@H](C1)N2)c1ccc(F)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNE1 P15382 1/20 0.37
KCNQ1 P51787 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL14410838 1.00 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5449068 1.00 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14410834 0.88 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5442986 0.88 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5442983 0.88 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5454976 0.83 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5454981 0.83 HTR3E (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL14410836 0.81 SLC6A4 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5452623 0.81 SLC6A4 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5452625 0.81 SLC6A4 (0.46) 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.