SCHEMBL3010643

SCHEMBL3010643

O=C1O[C@@H](c2ccccc2)CN1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.51
CRBN Q96SW2 2/20 0.51
HSD11B1 P28845 5/20 0.43
FADS1 O60427 3/20 0.43
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
HTR6 P50406 1/20 0.39
EPHX2 P34913 1/20 0.37
USP2 O75604 1/20 0.37
CCR5 P51681 1/20 0.36
AR P10275 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP19A1 P11511 1/20 0.36
MAOB P27338 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL3008439 1.00 DDB1 (0.51) DDB1CRBNHSD11B1FADS1ROCK2
SCHEMBL3008434 1.00 DDB1 (0.51) DDB1CRBNHSD11B1FADS1ROCK2
SCHEMBL2998352 0.92 DDB1 (0.44) DDB1CRBNHSD11B1FADS1ROCK2
SCHEMBL3003343 0.88 DDB1 (0.42) DDB1CRBNHSD11B1FADS1ROCK2
SCHEMBL3008526 0.86 DDB1 (0.52) DDB1CRBNHSD11B1FADS1EPHX2
SCHEMBL3003198 0.84 DDB1 (0.38) DDB1CRBNHSD11B1FADS1HTR6
SCHEMBL3010365 0.76 FADS1 (0.46) DDB1CRBNHSD11B1FADS1ROCK2
SCHEMBL3010361 0.76 FADS1 (0.46) DDB1CRBNHSD11B1FADS1ROCK2
SCHEMBL21061818 0.71 DDB1 (0.54) DDB1CRBNHSD11B1FADS1ROCK2
SCHEMBL21061740 0.71 DDB1 (0.54) DDB1CRBNHSD11B1FADS1ROCK2

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 5 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 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
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

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 1614/4885HSD11B1 1/4885

“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.