SCHEMBL1974495

SCHEMBL1974495

COc1cccc2c(CCN(CC3CC3)C(=O)c3nccnc3-c3ccc(F)c(C)c3)c[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.41
HTR1A P08908 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR2A P28223 1/20 0.38
BCHE P06276 6/20 0.35
ACHE P22303 6/20 0.35
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
LTC4S Q16873 3/20 0.34
WDR5 P61964 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
TACR2 P21452 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL2406776 0.93 HTR6 (0.43) HTR6HTR1AMTNR1AMTNR1BHTR2A
SCHEMBL1973164 0.91 HTR6 (0.45) HTR6HTR1AMTNR1AMTNR1BHTR2A
SCHEMBL1972831 0.90 HTR6 (0.43) HTR6HTR1AMTNR1AMTNR1BHTR2A
SCHEMBL1971436 0.88 HTR6 (0.41) HTR6HTR1AMTNR1AMTNR1BHTR2A
SCHEMBL1974366 0.88 HTR6 (0.43) HTR6HTR1AMTNR1AMTNR1BHTR2A
SCHEMBL2406365 0.88 HTR6 (0.46) HTR6HTR1AMTNR1AMTNR1BHTR2A
SCHEMBL2404868 0.87 MPO (0.38) HTR1ABCHEOXTRAVPR1ALPAR1
SCHEMBL1974129 0.87 HTR6 (0.41) HTR6HTR1AMTNR1AMTNR1BHTR2A
SCHEMBL1969456 0.87 HTR6 (0.41) HTR6HTR1AMTNR1AMTNR1BHTR2A
SCHEMBL1971560 0.86 TACR2 (0.46) TACR2CDK4CCND1

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 177/4885HTR1A 56/4885MTNR1A 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.