SCHEMBL3205461

SCHEMBL3205461

O=C(N1CCN(c2ncccc2C(F)(F)F)CC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.61
HSD11B1 P28845 1/20 0.60
GAA P10253 1/20 0.58
TRPV1 Q8NER1 5/20 0.57
RBP4 P02753 1/20 0.56
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GRM1 Q13255 3/20 0.55
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL3095680 0.79 HSD11B1 (0.76) HSD11B1GAATRPV1RBP4
SCHEMBL3225833 0.78 HSD11B1 (0.64) HSD11B1GAATRPV1RBP4ALDH1A1
SCHEMBL6988200 0.78 HSD11B1 (0.70) HSD11B1GAATRPV1RBP4NPSR1
SCHEMBL3205429 0.77 GAA (0.64) HSD11B1GAATRPV1RBP4ALDH1A1
SCHEMBL3319518 0.76 GRM5 (1.00) GRM5HSD11B1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL3223518 0.75 GAA (0.53) HSD11B1GAATRPV1RBP4ALDH1A1
SCHEMBL3327214 0.75 GAA (0.53) HSD11B1GAATRPV1RBP4ALDH1A1
SCHEMBL3222359 0.74 HSD11B1 (0.62) HSD11B1GAATRPV1RBP4NPSR1
SCHEMBL14540607 0.73 HSD11B1 (0.47) HSD11B1GAATRPV1RBP4NPSR1
SCHEMBL232429 0.73 HSD11B1 (0.67) HSD11B1GAATRPV1NPSR1

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 GRM5 2324/4885HSD11B1 1/4885GAA 2353/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 GRM5 1593/4885HSD11B1 1/4885GAA 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.