SCHEMBL1972736

SCHEMBL1972736

COC(=O)CN(CCc1c[nH]c2ccc(F)cc12)C(=O)c1nccnc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MPO P05164 10/20 0.45
SPR P35270 1/20 0.45
NOTUM Q6P988 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HTR2A P28223 4/20 0.43
SLC6A4 P31645 4/20 0.42
GPR84 Q9NQS5 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
HTR1A P08908 1/20 0.41

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
SCHEMBL1974629 0.96 MPO (0.43) MPOSPRNOTUMMTNR1AMTNR1B
SCHEMBL2404802 0.95 MPO (0.44) MPOSPRNOTUMMTNR1AMTNR1B
SCHEMBL1974139 0.94 GPR84 (0.42) MPOSPRNOTUMMTNR1AMTNR1B
SCHEMBL2406302 0.93 SPR (0.44) MPOSPRNOTUMMTNR1AMTNR1B
SCHEMBL1973407 0.92 SPR (0.43) MPOSPRNOTUMMTNR1AMTNR1B
SCHEMBL1972892 0.92 TDO2 (0.42) MPOSPRNOTUMMTNR1AMTNR1B
SCHEMBL27837114 0.86 MPO (0.45) MPOSPRNOTUMMTNR1AMTNR1B
SCHEMBL1972598 0.83 HTR1A (0.44) MPONOTUMMTNR1AMTNR1BHTR2A
SCHEMBL2404552 0.83 MPO (0.49) MPONOTUMMTNR1AMTNR1BHTR2A
SCHEMBL2405420 0.83 MPO (0.51) MPONOTUMMTNR1AMTNR1BHTR2A

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 MPO 3915/4885SPR 3781/4885NOTUM 3663/4885

“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.