SCHEMBL1969092

SCHEMBL1969092

CCOC(=O)C(NC(C)=O)C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CES2 O00748 2/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL1398728 0.89 NPSR1 (0.57) NPSR1TAS1R3TAS1R1KMT2AMEN1
SCHEMBL1339677 0.84 LMNA (0.48) NPSR1POLBALDH1A1CES2HDAC1
SCHEMBL1968423 0.80 CA12 (0.55) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL1968264 0.80 TAS1R3 (0.51) TAS1R3TAS1R1ALDH1A1CES2RAB9A
SCHEMBL1966784 0.80 CES2 (0.51) NPSR1TAS1R3TAS1R1KMT2AMEN1
SCHEMBL11458559 0.79 NPSR1 (0.49) NPSR1TAS1R3TAS1R1KMT2AMEN1
Iodide SCHEMBL5351689 0.79 CA12 (0.54) KMT2AMEN1ALDH1A1CA12CA1
Bromide SCHEMBL7614615 0.79 CA12 (0.54) KMT2AMEN1ALDH1A1CA12CA1
SCHEMBL30786693 0.77 CES2 (0.61) NPSR1TAS1R3TAS1R1KMT2AMEN1
SCHEMBL1994068 0.77 CES2 (0.61) NPSR1TAS1R3TAS1R1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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 (1 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 NPSR1 20/4885TAS1R3 772/4885TAS1R1 1021/4885

“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.