SCHEMBL13489666

SCHEMBL13489666

CB(O)NC1CCN(c2ncccc2C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.56
EPHX2 P34913 1/20 0.53
GAA P10253 1/20 0.53
HRH3 Q9Y5N1 2/20 0.49
HSD11B1 P28845 3/20 0.48
RBP4 P02753 2/20 0.47
MALT1 Q9UDY8 1/20 0.47

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
SCHEMBL14018578 0.83 EPHX2 (0.59) TRPV1EPHX2GAAHRH3HSD11B1
SCHEMBL3216080 0.79 TRPV1 (0.69) TRPV1EPHX2GAAHRH3HSD11B1
SCHEMBL30582915 0.79 EPHX2 (0.68) TRPV1EPHX2GAAHRH3HSD11B1
SCHEMBL13202913 0.79 TRPV1 (0.58) TRPV1EPHX2GAAHRH3HSD11B1
SCHEMBL3932323 0.78 TRPV1 (0.62) TRPV1EPHX2GAAHRH3HSD11B1
SCHEMBL12124657 0.76 ALDH1A1 (0.59) HSD11B1
SCHEMBL1349136 0.76 EPHX2 (0.64) TRPV1EPHX2GAAHRH3HSD11B1
SCHEMBL13489675 0.76 TRPV1 (0.62) TRPV1EPHX2GAAHRH3HSD11B1
SCHEMBL1252470 0.74 TRPV1 (0.66) TRPV1EPHX2GAAHRH3HSD11B1
SCHEMBL1351446 0.74 TRPV1 (0.55) TRPV1EPHX2GAAHRH3HSD11B1

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 TRPV1 4793/4885EPHX2 867/4885GAA 2353/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 TRPV1 4707/4885EPHX2 713/4885GAA 2688/4885

“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.