SCHEMBL984477

SCHEMBL984477

COC(=O)C(NC(C)=O)C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.46
HDAC8 Q9BY41 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
KAT6A Q92794 4/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ACACB O00763 2/20 0.41
PTPN1 P18031 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
DDR1 Q08345 2/20 0.39

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
SCHEMBL1398796 0.85 CES2 (0.53) GPR139TAS1R3TAS1R1NPC1RAB9A
SCHEMBL1398728 0.82 NPSR1 (0.57) GPR139TAS1R3TAS1R1RAB9AALDH1A1
SCHEMBL2056862 0.80 CES2 (0.47) NPC1RAB9AALDH1A1
SCHEMBL1398693 0.79 HDAC8 (0.45) HDAC8TAS1R3TAS1R1NPC1RAB9A
SCHEMBL2056880 0.78 SLC6A2 (0.52) NPC1RAB9AALDH1A1HPGD
SCHEMBL14099677 0.77 HDAC8 (0.56) GPR139HDAC8TAS1R3TAS1R1TAS1R2
SCHEMBL2056927 0.76 KMT2A (0.47) ALDH1A1
SCHEMBL7055657 0.76 MRGPRX4 (0.63) GPR139HDAC8TAS1R3TAS1R1TAS1R2
SCHEMBL1968264 0.76 TAS1R3 (0.51) TAS1R3TAS1R1NPC1RAB9AALDH1A1
SCHEMBL2133285 0.75 SLC7A5 (0.42) MRGPRX4NPC1RAB9AACACBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236801-B2 2-aza-bicyclo[2.2.1]heptane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
EP-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP disclosed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2011-01-13 US disclosed
EP-2247586-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-11-10 EP disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO disclosed
WO-2009104155-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-08-27 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR GPR139 96/4885HDAC8 776/4885TAS1R3 179/4885
US-20110009401-A1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES HCRTR2, HCRTR1, HCAR2 GPR139 150/4885HDAC8 276/4885TAS1R3 2259/4885

“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.