SCHEMBL4140906

SCHEMBL4140906

CS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
PTGS2 P35354 3/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC9A3 P48764 1/20 0.39
HTR1D P28221 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2D6 P10635 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL4142661 1.00 USP30 (0.43) USP30JAK2JAK3PTK2PTGS2
SCHEMBL4140902 1.00 USP30 (0.43) USP30JAK2JAK3PTK2PTGS2
SCHEMBL4139871 0.99 USP30 (0.43) USP30JAK2JAK3PTK2PTGS2
SCHEMBL4144821 0.97 USP30 (0.43) USP30JAK2JAK3PTK2PTGS2
SCHEMBL4136683 0.89 JAK3 (0.51) USP30JAK2JAK3PTK2PTGS2
SCHEMBL4136522 0.88 USP30 (0.46) USP30JAK2JAK3PTK2DRD3
SCHEMBL4145001 0.87 CHRM2 (0.44) USP30JAK2JAK3PTK2PTGS2
SCHEMBL4130700 0.87 ALDH1A1 (0.39) DRD3HTR1DKDM4EALDH1A1CYP2D6
SCHEMBL4130398 0.87 ACVR1 (0.39) JAK2JAK3PTK2DRD3
SCHEMBL4144363 0.85 HRH3 (0.48) CHRM2CHRM1DRD3SLC9A3ALDH1A1

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 2 patents. 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
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 USP30 3191/4885JAK2 1077/4885JAK3 488/4885

“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.