SCHEMBL1973407

SCHEMBL1973407

COC(=O)CN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nccnc1-c1ccc(F)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.43
NOTUM Q6P988 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MPO P05164 10/20 0.41
HTR2A P28223 4/20 0.39
SLC6A4 P31645 5/20 0.39
MEN1 O00255 1/20 0.38
PPARG P37231 1/20 0.38
KMT2A Q03164 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
HTR1A P08908 2/20 0.38

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
SCHEMBL2406302 0.94 SPR (0.44) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL1972736 0.92 MPO (0.45) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL1974629 0.91 MPO (0.43) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL2404802 0.89 MPO (0.44) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL27837112 0.88 NOTUM (0.42) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL1974139 0.88 GPR84 (0.42) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL1972892 0.88 TDO2 (0.42) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL1976906 0.86 HTR1A (0.46) NOTUMMTNR1AMTNR1BMPOHTR2A
SCHEMBL2404850 0.85 MPO (0.46) SPRNOTUMMTNR1AMTNR1BMPO
SCHEMBL2403965 0.84 MPO (0.44) SPRNOTUMMTNR1AMTNR1BMPO

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 6 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 claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
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 SPR 3781/4885NOTUM 3663/4885MTNR1A 23/4885

“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.