SCHEMBL3052241

SCHEMBL3052241

COc1cc(CN2CCc3cc(OCc4ccccc4)c(OC)cc3C2)cc(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REV1 Q9UBZ9 1/20 0.76
CHRNA7 P36544 2/20 0.66
ABCB1 P08183 9/20 0.60
ABCC1 P33527 3/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
KDM4E B2RXH2 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
CHRM3 P20309 1/20 0.53
DRD4 P21917 1/20 0.53
ADRA1D P25100 1/20 0.53
HTR2C P28335 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
DRD3 P35462 1/20 0.53

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
SCHEMBL3059849 0.92 REV1 (0.74) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3050371 0.92 REV1 (0.84) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3059193 0.91 REV1 (0.87) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3062442 0.89 REV1 (0.72) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3055739 0.88 REV1 (0.72) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3059243 0.88 REV1 (0.78) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3055433 0.87 REV1 (0.70) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3668878 0.86 REV1 (0.66) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3064267 0.86 REV1 (0.72) REV1CHRNA7ABCB1ABCC1ABCG2
SCHEMBL3046416 0.86 REV1 (0.71) REV1CHRNA7ABCB1ABCC1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US claimed
US-9133145-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBVIE INC. (US) 2015-09-15 US disclosed
EP-1751108-B1 ADAMANTYL-ACETAMIDE DERIVATIVES AS INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC (US) 2014-07-30 EP disclosed
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBVIE INC. (US) 2013-12-19 US disclosed
US-8415354-B2 Methods of use of inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2013-04-09 US disclosed
US-8394825-B2 Compound STERIX LIMITED (GB) 2013-03-12 US disclosed
US-8372841-B2 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase type 1 enzyme ABBOTT LABORATORIES (US) 2013-02-12 US disclosed
US-20100222316-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2010-09-02 US disclosed
US-20100222299-A1 COMPOUND STERIX LIMITED (GB) 2010-09-02 US disclosed
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME ABBOTT LABORATORIES (US) 2009-07-30 US disclosed
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme ABBVIE INC. 2005-12-15 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 (5 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-20100222316-A1 INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 REV1 639/4885CHRNA7 3949/4885ABCB1 1572/4885
US-20130338169-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 REV1 860/4885CHRNA7 1688/4885ABCB1 2037/4885
US-20090192141-A1 METHODS OF USE OF INHIBITORS OF THE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ENZYME HSD11B1, HSD17B1, HSD11B2 REV1 860/4885CHRNA7 1688/4885ABCB1 2037/4885
US-20050277647-A1 Inhibitors of the 11-beta-hydroxysteroid dehydrogenase Type 1 enzyme HSD11B1, HSD17B1, HSD11B2 REV1 639/4885CHRNA7 3949/4885ABCB1 1572/4885
US-20100222299-A1 COMPOUND MKI67, VHL, MYC REV1 1520/4885CHRNA7 4760/4885ABCB1 754/4885

“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.