SCHEMBL3218488

SCHEMBL3218488

O=S(=O)(c1ccc(Cl)cc1)C1CCN(c2nccc3ccccc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
HTR2C P28335 1/20 0.49
MALT1 Q9UDY8 1/20 0.44
GBA1 P04062 3/20 0.44
HTR2A P28223 2/20 0.42
PDE10A Q9Y233 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
SORD Q00796 2/20 0.42
CTSS P25774 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
KIT P10721 1/20 0.39

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
SCHEMBL3224151 0.88 HRH4 (0.46) HRH4HTR2CMALT1GBA1HTR2A
SCHEMBL3201988 0.88 MALT1 (0.46) HRH4HTR2CMALT1GBA1PDE10A
SCHEMBL3219594 0.86 HRH4 (0.49) HRH4HTR2CMALT1GBA1PDE10A
SCHEMBL3218107 0.85 HRH4 (0.49) HRH4HTR2CMALT1GBA1PDE10A
SCHEMBL3209933 0.81 HSD11B1 (0.54) MALT1
SCHEMBL3215027 0.79 KCNH2 (0.49) HTR2CMALT1HTR2A
SCHEMBL3220012 0.76 HSD11B1 (0.69)
SCHEMBL3210336 0.74 PDE10A (0.56) HRH4HTR2CPDE10AHTR1AHTR7
SCHEMBL12099484 0.74 MAPT (0.45) HTR2CGBA1HTR2APDE10A
SCHEMBL3221937 0.74 HSD11B1 (0.51) MALT1PDE10ACTSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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 (2 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 HRH4 3392/4885HTR2C 1366/4885MALT1 556/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HRH4 2530/4885HTR2C 806/4885MALT1 593/4885

“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.