SCHEMBL3207513

SCHEMBL3207513

Cc1cccnc1C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
KMT2A Q03164 2/20 0.48
GPR183 P32249 1/20 0.44
CHRM5 P08912 1/20 0.44
HTR2B P41595 1/20 0.44
LSS P48449 1/20 0.44
TP53 P04637 3/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
USP5 P45974 1/20 0.43
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42

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) HSD11B1KMT2ATP53MEN1
SCHEMBL3221578 0.86 TP53 (0.62) HSD11B1KMT2ATP53MEN1NPSR1
SCHEMBL3219485 0.83 HSD11B1 (0.50) HSD11B1KMT2ACHRM5TP53MEN1
SCHEMBL3213314 0.82 LMNA (0.60) HSD11B1KMT2ACHRM5MEN1TSHR
SCHEMBL3209708 0.79 MEN1 (0.47) HSD11B1KMT2ATP53MEN1
SCHEMBL3215950 0.78 FAAH (0.48) CHRM5POLB
SCHEMBL20772177 0.74 TP53 (0.75) HSD11B1KMT2ALSSTP53MEN1
SCHEMBL2476264 0.73 HSD11B1 (0.53) HSD11B1POLB
SCHEMBL12812200 0.72 PDE10A (0.47)
SCHEMBL2839822 0.72 MEN1 (0.75) KMT2AMEN1POLB

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 1/4885KMT2A 1609/4885GPR183 1023/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885KMT2A 1591/4885GPR183 879/4885

“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.