SCHEMBL5531246

SCHEMBL5531246

O=CC1CCC2(CCc3cc(Br)ccc32)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
BACE1 P56817 2/20 0.34
SIGMAR1 Q99720 4/20 0.33
SLC18A3 Q16572 3/20 0.33
PARP1 P09874 2/20 0.33
TDP2 O95551 1/20 0.33
DGAT1 O75907 2/20 0.33
SOAT1 P35610 1/20 0.33
PNMT P11086 2/20 0.33
ASIC3 Q9UHC3 1/20 0.33
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
APP P05067 1/20 0.32
METAP1 P53582 1/20 0.31
HSD17B3 P37058 1/20 0.31
PARP10 Q53GL7 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PARP11 Q9NR21 1/20 0.30
ADRA2A P08913 1/20 0.30

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
SCHEMBL5538070 1.00 KDM1A (0.39) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL2252850 1.00 KDM1A (0.39) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL2252855 1.00 KDM1A (0.39) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL5635261 0.82 KDM1A (0.44) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL2258656 0.79 TDP2 (0.41) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL2253997 0.78 DGAT1 (0.51) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL2254000 0.78 DGAT1 (0.51) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL5538098 0.78 DGAT1 (0.51) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL13769243 0.77 KDM1A (0.41) KDM1ABACE1SIGMAR1SLC18A3PARP1
SCHEMBL12360762 0.77 DGAT1 (0.42) KDM1ABACE1SIGMAR1SLC18A3PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234978-B1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2015-02-25 EP disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2012-05-03 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-7994179-B2 Carbamoyl compounds as DGAT1 inhibitors 190 ASTRAZENECA AB (SE) 2011-08-09 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009081195-A1 CARBAMOYL COMPOUNDS AS DGAT1 INHIBITORS 190 ASTRAZENECA AB (SE) 2009-07-02 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 (2 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-20120108602-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 KDM1A 832/4885BACE1 1732/4885SIGMAR1 931/4885
US-20090298853-A1 Carbamoyl Compounds as DGAT1 Inhibitors 190 DGAT1, DGAT2, SOAT1 KDM1A 844/4885BACE1 1713/4885SIGMAR1 922/4885

“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.