SCHEMBL3003198

SCHEMBL3003198

O=C1OC(c2cccc(Br)c2)CN1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.38
CRBN Q96SW2 2/20 0.38
KDM1A O60341 2/20 0.36
FADS1 O60427 2/20 0.33
HSD11B1 P28845 1/20 0.33
ACHE P22303 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
FFAR1 O14842 3/20 0.32
HTR6 P50406 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL3008526 0.84 DDB1 (0.52) DDB1CRBNKDM1AFADS1HSD11B1
SCHEMBL3008439 0.84 DDB1 (0.51) DDB1CRBNFADS1HSD11B1HTR6
SCHEMBL3010643 0.84 DDB1 (0.51) DDB1CRBNFADS1HSD11B1HTR6
SCHEMBL3008434 0.84 DDB1 (0.51) DDB1CRBNFADS1HSD11B1HTR6
SCHEMBL3003343 0.84 DDB1 (0.42) DDB1CRBNFADS1HSD11B1FFAR1
SCHEMBL2998352 0.77 DDB1 (0.44) DDB1CRBNKDM1AFADS1HSD11B1
SCHEMBL4431210 0.74 DDB1 (0.33) DDB1CRBN
SCHEMBL20845730 0.71 CRBN (0.75) DDB1CRBN
SCHEMBL22713076 0.71 CRBN (0.75) DDB1CRBN
SCHEMBL22713086 0.71 CRBN (0.75) DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 US claimed
EP-2125750-B1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-05-21 EP claimed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 US claimed
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 US disclosed
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 US disclosed
US-8835426-B2 Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-16 US disclosed
EP-2125750-B1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS INC (US) 2014-05-21 EP disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 US disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 US disclosed
US-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2010-08-05 US disclosed
EP-2125750-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008106128-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-09-04 WO disclosed
WO-2008106128-A2 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2008-09-04 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 (1 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-20100197675-A1 CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD11B2 DDB1 608/4885CRBN 1614/4885KDM1A 476/4885

“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.