SCHEMBL3210143

SCHEMBL3210143

CC1CN(c2ncccc2Cl)CC(C)N1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
PTPN11 Q06124 1/20 0.45
TRPV1 Q8NER1 12/20 0.45
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MALT1 Q9UDY8 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
SCHEMBL30417113 1.00 HSD11B1 (0.51) HSD11B1PTPN11TRPV1MAPK13MAPK12
SCHEMBL13489654 1.00 HSD11B1 (0.51) HSD11B1PTPN11TRPV1MAPK13MAPK12
SCHEMBL232057 0.83 TRPV1 (0.47) HSD11B1TRPV1MAPK13MAPK12MAPK11
SCHEMBL232058 0.83 TRPV1 (0.47) HSD11B1TRPV1MAPK13MAPK12MAPK11
SCHEMBL3707817 0.83 TRPV1 (0.47) HSD11B1TRPV1MAPK13MAPK12MAPK11
SCHEMBL30416776 0.81 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL30416835 0.81 HSD11B1 (0.51) HSD11B1TRPV1
SCHEMBL4871696 0.81 CHRNB2 (0.50) HSD11B1PTPN11TRPV1MALT1
SCHEMBL7721422 0.78 GHSR (0.45) MALT1
SCHEMBL2385053 0.78 MAPK13 (0.43) PTPN11MAPK13MAPK12MAPK11MAPK14

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 HSD11B1 1/4885PTPN11 3147/4885TRPV1 4793/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885PTPN11 2911/4885TRPV1 4707/4885

“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.