SCHEMBL3223553

SCHEMBL3223553

O=S(=O)(c1ccccc1Cl)N1CCN(c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 7/20 0.61
TSHR P16473 2/20 0.53
GBA1 P04062 1/20 0.52
MAPT P10636 3/20 0.50
MAPK1 P28482 1/20 0.50
CHRM2 P08172 1/20 0.49
CHRM5 P08912 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
HTR6 P50406 1/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.49
TP53 P04637 2/20 0.48

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
SCHEMBL5350376 0.94 CHRM4 (0.63) CHRM4TSHRGBA1MAPTMAPK1
SCHEMBL3210281 0.88 CHRM4 (0.59) CHRM4TSHRGBA1CHRM2CHRM5
SCHEMBL10723724 0.88 CHRM4 (0.64) CHRM4TSHRGBA1MAPTMAPK1
SCHEMBL2961026 0.85 CHRM4 (0.62) CHRM4TSHRGBA1MAPTHTR6
SCHEMBL2962429 0.83 MEN1 (0.62) CHRM4GBA1ALDH1A1
SCHEMBL5347507 0.83 CHRM4 (0.61) CHRM4TSHRGBA1MAPTMAPK1
SCHEMBL3223609 0.83 CHRM4 (0.57) CHRM4TSHRGBA1MAPTHTR6
SCHEMBL2962776 0.81 KMT2A (0.64) CHRM4MAPTALDH1A1TP53
SCHEMBL2953603 0.81 MAPT (0.59) CHRM4TSHRGBA1MAPTALDH1A1
SCHEMBL5331434 0.80 CHRM4 (0.64) CHRM4TSHRGBA1MAPTMAPK1

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 CHRM4 4870/4885TSHR 3335/4885GBA1 3525/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 CHRM4 4818/4885TSHR 2942/4885GBA1 4014/4885

“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.