SCHEMBL3201936

SCHEMBL3201936

CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 7/20 0.50
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ GPR119 Q8TDV5 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ SMARCA2 P51531 1/20 0.44
▸ SMARCA4 P51532 1/20 0.44
▸ PBRM1 Q86U86 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL34465971 1.00 HSD11B1 (0.50) HSD11B1MAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL4422111 0.87 GPR119 (0.54) MAPTLMNAALDH1A1SMN1; SMN2PDK2
SCHEMBL34466519 0.87 ESR2 (0.50) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL29665792 0.86 NR1H2 (0.51) MAPTLMNAALDH1A1SMN1; SMN2PDK2
SCHEMBL14852579 0.86 RBP4 (0.54) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL25168339 0.86 GPR119 (0.46) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL265716 0.86 NR1H2 (0.51) MAPTLMNAALDH1A1SMN1; SMN2PDK2
SCHEMBL22532774 0.85 SMN1; SMN2 (0.56) MAPTLMNAALDH1A1SMN1; SMN2GPR119
SCHEMBL1478500 0.85 TTR (0.52) MAPTLMNAALDH1A1PDK2GPR119
SCHEMBL5913300 0.84 MAPT (0.55) MAPTLMNAALDH1A1SMN1; SMN2PDK2

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 10 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-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 — — US 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
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 — — 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
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 — — 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 HSD11B1 1/4885MAPT 3352/4885LMNA 3748/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885MAPT 3097/4885LMNA 3681/4885

“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.

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