SCHEMBL5453769

SCHEMBL5453769

O=C(c1cn(CCCN2C3CCC2CC(Oc2ccc(F)cc2)C3)c2ncccc12)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 14/20 0.51
ATM Q13315 1/20 0.47
IDO1 P14902 1/20 0.39
CNR2 P34972 3/20 0.39
CNR1 P21554 2/20 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
SCHEMBL14410942 0.91 HTR3A (0.55) HTR3ACNR2CNR1
SCHEMBL5448828 0.87 HTR3A (0.52) HTR3AATMCNR2CNR1
SCHEMBL14411366 0.86 HTR3A (0.53) HTR3AATMIDO1
SCHEMBL14463900 0.84 ATM (0.43) HTR3AATMIDO1CNR2CNR1
SCHEMBL16316890 0.80 HTR3A (0.49) HTR3ACNR2CNR1
SCHEMBL5441614 0.79 ATM (0.48) HTR3AATMCNR2CNR1
SCHEMBL5452918 0.79 HTR3A (0.49) HTR3AIDO1CNR2
SCHEMBL16316982 0.78 HTR3A (0.47) HTR3AATMIDO1
SCHEMBL5441702 0.77 HTR3A (0.44) HTR3AATMCNR2CNR1
SCHEMBL5444494 0.77 HTR3A (0.44) HTR3AATMCNR2CNR1

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 HTR3A 373/4885ATM 4514/4885IDO1 3073/4885

“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.