SCHEMBL4140997

SCHEMBL4140997

COCC1CCCN1C1CCc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CASP3 P42574 14/20 0.39
CASP7 P55210 13/20 0.39
CASP9 P55211 1/20 0.37
DRD3 P35462 1/20 0.36
PTGS2 P35354 1/20 0.36
CASP1 P29466 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
SCHEMBL4136270 0.91 BACE1 (0.38) KCNH2HRH3CASP3CASP7CASP9
SCHEMBL4136050 0.91 CASP3 (0.39) KCNH2HRH3CASP3CASP7CASP9
SCHEMBL4143358 0.85 USP30 (0.43) USP30KCNH2HRH3DRD3PTGS2
SCHEMBL4144558 0.82 MCHR1 (0.41) KCNH2HRH3
SCHEMBL4133535 0.82 HRH3 (0.43) KCNH2HRH3
SCHEMBL4139555 0.79 GPR84 (0.40) USP30KCNH2HRH3
SCHEMBL4134993 0.79 FAAH (0.38)
SCHEMBL4144821 0.78 USP30 (0.43) USP30HRH3DRD3PTGS2
SCHEMBL4142661 0.78 USP30 (0.43) USP30HRH3DRD3PTGS2
SCHEMBL4140906 0.78 USP30 (0.43) USP30HRH3DRD3PTGS2

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 USP30 3191/4885KCNH2 657/4885HRH3 1/4885

“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.