SCHEMBL4139871

SCHEMBL4139871

CS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCCCC2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.43
PTGS2 P35354 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR1D P28221 2/20 0.39
DRD3 P35462 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC9A3 P48764 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL4140906 0.99 USP30 (0.43) USP30PTGS2CHRM2CHRM1JAK2
SCHEMBL4140902 0.99 USP30 (0.43) USP30PTGS2CHRM2CHRM1JAK2
SCHEMBL4142661 0.99 USP30 (0.43) USP30PTGS2CHRM2CHRM1JAK2
SCHEMBL4144821 0.96 USP30 (0.43) USP30PTGS2CHRM2CHRM1JAK2
SCHEMBL4136683 0.88 JAK3 (0.51) USP30PTGS2JAK2JAK3PTK2
SCHEMBL4130700 0.88 ALDH1A1 (0.39) ALDH1A1KDM4EHTR1DDRD3CYP2D6
SCHEMBL4136522 0.87 USP30 (0.46) USP30JAK2JAK3PTK2DRD3
SCHEMBL4145001 0.86 CHRM2 (0.44) USP30PTGS2CHRM2CHRM1JAK2
SCHEMBL4130398 0.86 ACVR1 (0.39) JAK2JAK3PTK2DRD3
SCHEMBL4144363 0.84 HRH3 (0.48) CHRM2CHRM1ALDH1A1DRD3SLC9A3

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 3191/4885PTGS2 2726/4885CHRM2 254/4885

“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.