SCHEMBL1974129

SCHEMBL1974129

COc1cccc2c(CCN(CC3CC3)C(=O)c3nccnc3-c3cccc(C(F)(F)F)c3)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
LTC4S Q16873 4/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
BCHE P06276 6/20 0.37
ACHE P22303 6/20 0.37
HTR1A P08908 1/20 0.37
RORB Q92753 2/20 0.36
HTR2A P28223 1/20 0.36
HCRTR2 O43614 2/20 0.35
HCRTR1 O43613 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL1974366 0.90 HTR6 (0.43) HTR6MTNR1AMTNR1BBCHEACHE
SCHEMBL1972831 0.90 HTR6 (0.43) HTR6LTC4SMTNR1AMTNR1BBCHE
SCHEMBL2406365 0.89 HTR6 (0.46) HTR6MTNR1AMTNR1BBCHEACHE
SCHEMBL1973164 0.88 HTR6 (0.45) HTR6MTNR1AMTNR1BBCHEACHE
SCHEMBL2406776 0.87 HTR6 (0.43) HTR6LTC4SMTNR1AMTNR1BBCHE
SCHEMBL1974495 0.87 HTR6 (0.41) HTR6LTC4SMTNR1AMTNR1BBCHE
SCHEMBL1967721 0.86 TACR2 (0.46) HCRTR2HCRTR1
SCHEMBL1971436 0.85 HTR6 (0.41) HTR6MTNR1AMTNR1BBCHEACHE
SCHEMBL1971402 0.84 HTR1A (0.41) BCHEHTR1AHTR2AHCRTR2HCRTR1
SCHEMBL1971621 0.84 TACR2 (0.37) LTC4SHTR1AHCRTR2HCRTR1

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 HTR6 177/4885LTC4S 2070/4885MTNR1A 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.