SCHEMBL3225833

SCHEMBL3225833

CC1(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)CC1(Cl)Cl

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.64
GAA P10253 1/20 0.63
RBP4 P02753 1/20 0.57
TRPV1 Q8NER1 6/20 0.57
TRPA1 O75762 1/20 0.54
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL3205429 0.80 GAA (0.64) HSD11B1GAARBP4TRPV1TRPA1
SCHEMBL3095680 0.80 HSD11B1 (0.76) HSD11B1GAARBP4TRPV1TRPA1
SCHEMBL6988200 0.79 HSD11B1 (0.70) HSD11B1GAARBP4TRPV1TRPA1
SCHEMBL3205461 0.78 GRM5 (0.61) HSD11B1GAARBP4TRPV1ALDH1A1
SCHEMBL3213486 0.76 TRPV1 (0.69) HSD11B1GAARBP4TRPV1TRPA1
SCHEMBL3223518 0.76 GAA (0.53) HSD11B1GAARBP4TRPV1ALDH1A1
SCHEMBL22926473 0.76 EPHX2 (0.62) HSD11B1GAARBP4TRPV1
SCHEMBL3327214 0.74 GAA (0.53) HSD11B1GAARBP4TRPV1ALDH1A1
SCHEMBL1375423 0.74 EPHX2 (0.68) HSD11B1GAARBP4TRPV1
SCHEMBL1375425 0.74 EPHX2 (0.68) HSD11B1GAARBP4

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 4 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
CN-101400653-A 11-beta HSD1 inhibitors WYETH CORP (US) 2009-04-01 CN 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 1/4885GAA 2353/4885RBP4 2175/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885GAA 2688/4885RBP4 2329/4885

“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.