SCHEMBL4136050

SCHEMBL4136050

CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2COC)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 10/20 0.39
CASP7 P55210 9/20 0.39
KCNH2 Q12809 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
DRD2 P14416 3/20 0.37
DRD3 P35462 3/20 0.37
CASP9 P55211 1/20 0.37
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL4140997 0.91 USP30 (0.39) CASP3CASP7KCNH2HRH3DRD3
SCHEMBL4128188 0.87 KCNH2 (0.39) KCNH2HRH3DRD2DRD3
SCHEMBL4136270 0.85 BACE1 (0.38) CASP3CASP7KCNH2HRH3DRD2
SCHEMBL4141846 0.82 DRD2 (0.35) KCNH2HRH3DRD2DRD3
SCHEMBL4133535 0.81 HRH3 (0.43) KCNH2HRH3
SCHEMBL4144558 0.81 MCHR1 (0.41) KCNH2HRH3
SCHEMBL4141749 0.80 MLNR (0.37) DRD2DRD3
SCHEMBL4130700 0.79 ALDH1A1 (0.39) DRD2DRD3
SCHEMBL4145757 0.79 MCHR1 (0.43) CASP3KCNH2DRD2DRD3
SCHEMBL4139555 0.78 GPR84 (0.40) KCNH2HRH3

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 CASP3 2504/4885CASP7 2473/4885KCNH2 657/4885

“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.