SCHEMBL3222995

SCHEMBL3222995

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
RECQL P46063 1/20 0.52
HSD11B1 P28845 2/20 0.51
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
MALT1 Q9UDY8 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HDAC2 Q92769 1/20 0.42
CTSS P25774 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD4 P21917 1/20 0.41
ACHE P22303 1/20 0.41
PDE10A Q9Y233 1/20 0.40
KIF18A Q8NI77 1/20 0.40
PANK3 Q9H999 1/20 0.40

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
SCHEMBL3210155 0.85 HSD11B1 (0.53) KDM4ERECQLHSD11B1CA12CA1
SCHEMBL3221937 0.84 HSD11B1 (0.51) HSD11B1MALT1CTSSPDE10AKIF18A
SCHEMBL3216059 0.84 HSD11B1 (0.50) KDM4EHSD11B1ALDH1A1MALT1PDE10A
SCHEMBL3202120 0.83 KDM4E (0.52) KDM4ERECQLHSD11B1CA12CA1
SCHEMBL3216334 0.82 KDM4E (0.51) KDM4ERECQLHSD11B1CA12CA1
SCHEMBL3221195 0.81 HSD11B1 (0.70) HSD11B1
SCHEMBL3222028 0.81 ALDH1A1 (0.55) HSD11B1ALDH1A1MAPTTDP1
SCHEMBL3219594 0.80 HRH4 (0.49) HSD11B1MALT1PDE10A
SCHEMBL3291180 0.72 KDM4E (0.67) KDM4ERECQLHSD11B1CA12CA1
SCHEMBL5275182 0.71 TSHR (0.59) CA1CA2CA9ALDH1A1

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 KDM4E 1296/4885RECQL 3597/4885HSD11B1 1/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 KDM4E 1360/4885RECQL 3750/4885HSD11B1 1/4885

“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.