SCHEMBL3221802

SCHEMBL3221802

C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.59
HTR2C P28335 1/20 0.58
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3219995 1.00 HSD11B1 (0.59) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL14922244 0.84 ALDH1A1 (0.48) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL30952442 0.82 LMNA (0.47) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL21358963 0.82 LMNA (0.47) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL1904404 0.82 ALDH1A1 (0.60) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL30952471 0.82 LMNA (0.47) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL21358964 0.82 LMNA (0.47) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL21358968 0.82 LMNA (0.47) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL3222955 0.82 HTR2C (0.55) HSD11B1HTR2CALDH1A1LMNA
SCHEMBL23744700 0.81 HTR2C (0.59) HSD11B1HTR2CALDH1A1LMNA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010141550-A2 11-BETA HSD1 INHIBITORS WYETH LLC (US) 2010-12-09 WO disclosed
WO-2010141550-A2 11-BETA HSD1 INHIBITORS WYETH LLC (US) 2010-12-09 WO disclosed
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
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 1/4885HTR2C 1366/4885ALDH1A1 116/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885HTR2C 806/4885ALDH1A1 123/4885

“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.