SCHEMBL328849

SCHEMBL328849

COC(=O)C1CC2CCCC(C1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL15106250 0.92 CHRNB2 (0.47) ALDH1A1ALOX15USP2SMN1; SMN2MAPK1
SCHEMBL15106248 0.92 CHRNB2 (0.47) ALDH1A1ALOX15USP2SMN1; SMN2MAPK1
SCHEMBL13226524 0.81 CHRNB2 (0.44) ALDH1A1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3212635 0.75 ALOX15 (0.47) ALDH1A1ALOX15USP2SMN1; SMN2MAPK1
SCHEMBL3223835 0.75 ALOX15 (0.47) ALDH1A1ALOX15USP2SMN1; SMN2MAPK1
SCHEMBL3212637 0.75 ALOX15 (0.47) ALDH1A1ALOX15USP2SMN1; SMN2MAPK1
SCHEMBL62434 0.74 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL86929 0.74 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL18408 0.74
SCHEMBL2833747 0.74 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2CHRNB2CHRNA4CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
EP-2007719-B1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LAB (US) 2012-05-02 EP disclosed
EP-2407452-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme Abbott Laboratories (US) 2012-01-18 EP disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
US-7737137-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 WO disclosed
US-20080312214-A1 Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-12-18 US disclosed
US-7435833-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBOTT LABORATORIES (US) 2008-10-14 US disclosed
US-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2008-03-27 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 (4 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-20080076819-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD11B2, HSD17B1 ALDH1A1 132/4885ALOX15 272/4885USP2 2307/4885
US-20080312214-A1 Inhibitors of the 11-Beta-Hydroxysteroid Dehydrogenase Type 1 Enzyme HSD11B1, HSD17B1, HSD11B2 ALDH1A1 62/4885ALOX15 385/4885USP2 2880/4885
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 236/4885ALOX15 1110/4885USP2 208/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 345/4885ALOX15 1330/4885USP2 632/4885

“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.