SCHEMBL1971402

SCHEMBL1971402

O=C(c1nccnc1-c1cccc(C(F)(F)F)c1)N(CCc1c[nH]c2ccc(F)cc12)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.41
SLC6A4 P31645 10/20 0.39
MPO P05164 4/20 0.38
SNCA P37840 1/20 0.38
TACR2 P21452 1/20 0.38
HCRTR2 O43614 2/20 0.38
HCRTR1 O43613 1/20 0.38
BCHE P06276 1/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL1971621 0.92 TACR2 (0.37) HTR1ASLC6A4TACR2HCRTR2HCRTR1
SCHEMBL1967721 0.92 TACR2 (0.46) SNCATACR2HCRTR2HCRTR1
SCHEMBL2405988 0.90 HTR1A (0.43) HTR1ASLC6A4MPOTACR2HTR2A
SCHEMBL2406200 0.89 HCRTR2 (0.45) HTR1ASLC6A4MPOTACR2HCRTR2
SCHEMBL1973734 0.89 TACR2 (0.35) HTR1ASNCATACR2HCRTR2HCRTR1
SCHEMBL1972598 0.88 HTR1A (0.44) HTR1ASLC6A4MPOTACR2HTR2A
SCHEMBL2409960 0.87 HTR1A (0.43) HTR1ASLC6A4MPOHCRTR2HCRTR1
SCHEMBL2406957 0.85 HTR1A (0.43) HTR1ASLC6A4MPOBCHEHTR2A
SCHEMBL2403134 0.85 MPO (0.43) HTR1ASLC6A4MPOBCHEHTR2A
SCHEMBL1976906 0.85 HTR1A (0.46) HTR1ASLC6A4MPOHTR2A

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 HTR1A 56/4885SLC6A4 781/4885MPO 3915/4885

“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.