SCHEMBL3216059

SCHEMBL3216059

Cc1cccnc1N1CCC(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.50
LMNA P02545 2/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
KIF18A Q8NI77 6/20 0.42
PDE10A Q9Y233 2/20 0.42
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GBA1 P04062 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
TGM3 Q08188 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MALT1 Q9UDY8 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
SCHEMBL3221937 0.86 HSD11B1 (0.51) HSD11B1LMNAMCOLN3KIF18APDE10A
SCHEMBL3209868 0.84 HSD11B1 (0.53) HSD11B1KIF18AF13A1TGM2TGM1
SCHEMBL3222028 0.84 ALDH1A1 (0.55) HSD11B1LMNAMAPK1ALDH1A1HPGD
SCHEMBL3222995 0.84 KDM4E (0.52) HSD11B1KIF18APDE10AKDM4EALDH1A1
SCHEMBL3221195 0.84 HSD11B1 (0.70) HSD11B1HSD17B10
SCHEMBL3219594 0.83 HRH4 (0.49) HSD11B1LMNAMCOLN3PDE10ATSHR
SCHEMBL3223586 0.81 HSD11B1 (0.72) HSD11B1LMNAMCOLN3TSHRGBA1
SCHEMBL3210172 0.81 HSD11B1 (0.51) HSD11B1KIF18AGBA1F13A1TGM2
SCHEMBL5275182 0.74 TSHR (0.59) LMNAMCOLN3TSHRALDH1A1
SCHEMBL3219142 0.73 HSD11B1 (0.58) HSD11B1KIF18AMALT1

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 HSD11B1 1/4885LMNA 3748/4885MCOLN3 4442/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885LMNA 3681/4885MCOLN3 4525/4885

“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.