SCHEMBL2764837

SCHEMBL2764837

CC(C)(C)OC(=O)N1CCC(Oc2cc(F)ccc2Br)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.55
PDE4D Q08499 3/20 0.51
PDE4B Q07343 3/20 0.51
PDE4A P27815 2/20 0.51
PDE4C Q08493 2/20 0.51
KDM1A O60341 1/20 0.50
SCD O00767 5/20 0.48
SCD5 Q86SK9 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL2773558 0.91 GPR119 (0.58) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL70696 0.88 GPR119 (0.60) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL2160959 0.88 RBP4 (0.47) GPR119PDE4BSCD
SCHEMBL22265825 0.87 GPR119 (0.54) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL6113438 0.86 GPR119 (0.55) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL72738 0.86 GPR119 (0.55) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL2776116 0.86 GPR119 (0.69) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL69206 0.85 KDM1A (0.56) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL3160552 0.85 GPR119 (0.54) GPR119PDE4DPDE4BPDE4APDE4C
SCHEMBL29964428 0.85 GPR119 (0.59) GPR119PDE4DPDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2010-08-05 US disclosed
EP-2178884-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2010-04-28 EP disclosed
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE LEBLANC YVES 2009-10-29 US disclosed
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE LEBLANC YVES 2009-10-29 US 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-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-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
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2009012573-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2009-01-29 WO disclosed
US-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-07-31 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
US-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase MERCK CANADA INC. (CA) 2008-07-31 US disclosed
WO-2008089580-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-07-31 WO disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 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 (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-20080182838-A1 Azacycloalkane derivatives as inhibitors of stearoyl-coenzyme a delta-9 desaturase SCD, SCD5, SREBF1 GPR119 61/4885PDE4D 3315/4885PDE4B 3430/4885
US-20100197692-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A GPR119 57/4885PDE4D 3780/4885PDE4B 3820/4885
US-20090270434-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 GPR119 61/4885PDE4D 3315/4885PDE4B 3430/4885
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 GPR119 69/4885PDE4D 3184/4885PDE4B 3220/4885

“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.