SCHEMBL1966646

SCHEMBL1966646

FC(F)(F)c1ccc(CCNCC2CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
CCR3 P51677 4/20 0.45
LIPC P11150 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
MAOB P27338 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
CNR1 P21554 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 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
SCHEMBL11935154 0.93 TAAR1 (0.44) TAAR1CCR3LIPCLIPGMAOB
SCHEMBL17526003 0.83 JAK2 (0.50) LIPCLIPGMAOBMEN1KMT2A
SCHEMBL17090513 0.83 NPY5R (0.48) CCR3PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL1969046 0.81 TAAR1 (0.50) TAAR1
SCHEMBL1971363 0.80 KDM4E (0.48)
SCHEMBL1967205 0.79 ALDH1A1 (0.52) MAPT
SCHEMBL25343202 0.77 GFER (0.46) MAOBMAPT
SCHEMBL1967608 0.77 NPC1 (0.46) TAAR1MEN1KMT2AGAAMAPT
SCHEMBL1968986 0.77 L3MBTL1 (0.50) TAAR1MEN1KMT2AMAPT
SCHEMBL2406756 0.77 KMT2A (0.51) TAAR1CNR1MEN1KMT2A

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 3 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 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 TAAR1 48/4885CCR3 893/4885LIPC 4251/4885

“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.