SCHEMBL4130398

SCHEMBL4130398

CS(=O)(=O)c1cccc(-c2ccc3c(c2)CCC(N2CCC2)C3)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.39
GRIA2 P42262 2/20 0.39
KDM2B Q8NHM5 2/20 0.39
GRIN2B Q13224 2/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
BACE1 P56817 1/20 0.37
FAAH O00519 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36
PRKDC P78527 1/20 0.36
ATM Q13315 1/20 0.36
ATR Q13535 1/20 0.36
ATRIP Q8WXE1 1/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
KCNH2 Q12809 2/20 0.36

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
SCHEMBL4152780 0.90 JAK2 (0.47) ACVR1GRIA2GRIN2BJAK2JAK3
SCHEMBL4144821 0.89 USP30 (0.43) JAK2JAK3PTK2DRD3
SCHEMBL4141043 0.88 KDM2B (0.38) ACVR1GRIA2KDM2BDRD2DRD3
SCHEMBL4127903 0.88 GRIA2 (0.40) ACVR1GRIA2KDM2BGRIN2BJAK2
SCHEMBL4140906 0.87 USP30 (0.43) JAK2JAK3PTK2DRD3
SCHEMBL4142661 0.87 USP30 (0.43) JAK2JAK3PTK2DRD3
SCHEMBL4140902 0.87 USP30 (0.43) JAK2JAK3PTK2DRD3
SCHEMBL4139871 0.86 USP30 (0.43) JAK2JAK3PTK2DRD3
SCHEMBL4136275 0.83 GRIN2B (0.49) GRIA2KDM2BGRIN2BFAAHDRD2
SCHEMBL4141749 0.80 MLNR (0.37) KDM2BGRIN2BJAK2FAAHOPRM1

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 ACVR1 2680/4885GRIA2 235/4885KDM2B 3965/4885

“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.