SCHEMBL3219485

SCHEMBL3219485

Cc1cccnc1C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.50
CHRM5 P08912 2/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 1/20 0.45
TP53 P04637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
LPAR1 Q92633 1/20 0.43
LPAR2 Q9HBW0 1/20 0.43

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
SCHEMBL3219576 0.88 TP53 (0.58) HSD11B1MAPK1TP53MEN1KMT2A
SCHEMBL3213314 0.85 LMNA (0.60) HSD11B1CHRM5MAPTMAPK1MEN1
SCHEMBL3207513 0.83 HSD11B1 (0.50) HSD11B1CHRM5TP53MEN1KMT2A
SCHEMBL3224328 0.83 HSD11B1 (0.67) HSD11B1MAPTMEN1KMT2A
SCHEMBL3209708 0.82 MEN1 (0.47) HSD11B1TP53MEN1KMT2ASMN1; SMN2
SCHEMBL3221578 0.81 TP53 (0.62) HSD11B1MAPTTP53MEN1KMT2A
SCHEMBL3215950 0.81 FAAH (0.48) CHRM5MAPK1OPRM1OPRL1
SCHEMBL3226054 0.79 HSD11B1 (0.73) HSD11B1MAPK1RAB9AMEN1KMT2A
SCHEMBL31212438 0.75 LMNA (0.59) HSD11B1MAPK1RAB9ATP53MEN1
SCHEMBL3212924 0.71 HSD11B1 (0.65) HSD11B1TP53

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 1/4885CHRM5 4878/4885MAPT 3352/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885CHRM5 4855/4885MAPT 3097/4885

“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.