SCHEMBL4130503

SCHEMBL4130503

CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCOCC2C)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 3/20 0.35
HRH3 Q9Y5N1 3/20 0.34
PIK3CA P42336 2/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
PTK2 Q05397 1/20 0.33
PNMT P11086 1/20 0.32
MLNR O43193 2/20 0.32
PIK3CD O00329 1/20 0.32
CYP2D6 P10635 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL4148493 0.90 MTOR (0.40) KCNH2DRD3HRH3PIK3CAJAK2
SCHEMBL4128188 0.85 KCNH2 (0.39) KCNH2DRD2DRD3HRH3
SCHEMBL4141084 0.84 JAK2 (0.42) KCNH2DRD2DRD3HRH3PIK3CA
SCHEMBL4141749 0.79 MLNR (0.37) DRD2DRD3JAK2PNMTMLNR
SCHEMBL4130700 0.78 ALDH1A1 (0.39) DRD2DRD3PNMTMLNRCYP2D6
SCHEMBL4141846 0.77 DRD2 (0.35) KCNH2DRD2DRD3HRH3PNMT
SCHEMBL4139662 0.76 PNMT (0.35) DRD2DRD3JAK2PNMTMLNR
SCHEMBL4136050 0.75 CASP3 (0.39) KCNH2DRD2DRD3HRH3
SCHEMBL4143358 0.75 USP30 (0.43) KCNH2DRD3HRH3JAK2JAK3
SCHEMBL4136716 0.75 HDAC4 (0.38) DRD2DRD3PNMT

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 KCNH2 657/4885DRD2 197/4885DRD3 167/4885

“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.