SCHEMBL3213621

SCHEMBL3213621

CCc1ccccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.71
TSHR P16473 3/20 0.68
NPSR1 Q6W5P4 1/20 0.68
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MCOLN3 Q8TDD5 3/20 0.59
HTT P42858 2/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
USP2 O75604 1/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAPT P10636 1/20 0.55
PKLR P30613 1/20 0.55

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
SCHEMBL23051855 0.85 SMN1; SMN2 (0.71) PKMTSHRLMNASMN1; SMN2MCOLN3
SCHEMBL18134604 0.83 MCOLN3 (0.83) PKMTSHRLMNASMN1; SMN2MCOLN3
SCHEMBL3212035 0.83 CTDSP1 (0.62) PKMTSHRLMNASMN1; SMN2MCOLN3
SCHEMBL2961007 0.82 SMN1; SMN2 (0.80) PKMTSHRLMNASMN1; SMN2HTT
SCHEMBL13181073 0.81 PKM (0.78) PKMTSHRLMNASMN1; SMN2MCOLN3
SCHEMBL3209949 0.81 MCOLN3 (0.58) PKMTSHRLMNASMN1; SMN2MCOLN3
SCHEMBL3209201 0.80 HTT (0.68) PKMTSHRLMNASMN1; SMN2MCOLN3
SCHEMBL3222852 0.80 HSD11B1 (0.74) PKMTSHRLMNASMN1; SMN2MCOLN3
SCHEMBL12913814 0.79 HDAC3 (0.65) PKMTSHRLMNASMN1; SMN2MCOLN3
SCHEMBL15014129 0.79 PKM (0.89) PKMTSHRLMNASMN1; SMN2MCOLN3

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 5 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
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO 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 PKM 2924/4885TSHR 3335/4885NPSR1 2139/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 PKM 2798/4885TSHR 2942/4885NPSR1 1342/4885

“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.