SCHEMBL2160959

SCHEMBL2160959

CC(C)(C)OC(=O)N1CC(Oc2cc(F)ccc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.47
USP30 Q70CQ3 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
CACNB4 O00305 1/20 0.42
CACNA1A O00555 1/20 0.42
CACNA1G O43497 1/20 0.42
CACNG3 O60359 1/20 0.42
CACNA1F O60840 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNB3 P54284 1/20 0.42
CACNA2D1 P54289 1/20 0.42
CACNG7 P62955 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1D Q01668 1/20 0.42
CACNB1 Q02641 1/20 0.42
CACNG1 Q06432 1/20 0.42
CACNB2 Q08289 1/20 0.42
CACNA1S Q13698 1/20 0.42

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
SCHEMBL2764837 0.88 GPR119 (0.55) GPR119PDE4BSCD
SCHEMBL16296027 0.86 PIN1 (0.42) USP30HDAC1HDAC2GPR119PDE4B
SCHEMBL3954269 0.85 USP30 (0.47) RBP4USP30GPR119CACNB4CACNA1A
SCHEMBL15058459 0.84 SMN1; SMN2 (0.48) RBP4USP30HDAC1HDAC2GPR119
SCHEMBL21222585 0.84 PDE4D (0.55) RBP4USP30HDAC1HDAC2GPR119
SCHEMBL15058234 0.83 RBP4 (0.45) RBP4USP30HDAC1HDAC2GPR119
SCHEMBL2160873 0.82 SCD (0.47) RBP4SCDPIN1
SCHEMBL15058619 0.81 GPR119 (0.48) GPR119SCD
SCHEMBL15058621 0.81 GPR119 (0.48) GPR119SCD
SCHEMBL15058620 0.81 GPR119 (0.48) GPR119SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350054-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-08-03 EP disclosed
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US disclosed
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US disclosed
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE LEBLANC YVES 2009-10-29 US disclosed
US-7582633-B2 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK FROSST CANADA L.L.C. (CA) 2009-09-01 US disclosed
US-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-07-31 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 (3 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-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 RBP4 668/4885USP30 3743/4885HDAC1 563/4885
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FADS2 RBP4 725/4885USP30 2823/4885HDAC1 2354/4885
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 RBP4 668/4885USP30 3743/4885HDAC1 563/4885

“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.