SCHEMBL1966332

SCHEMBL1966332

COc1ccc(CCN(C)C2CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.59
SIGMAR1 Q99720 2/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.48
ALOX5 P09917 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
SMPD1 P17405 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL17285933 0.88 SIGMAR1 (0.57) AOC3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL22878152 0.87 SIGMAR1 (0.49) AOC3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL17284559 0.87 AOC3 (0.53) AOC3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL18673273 0.84 HRH3 (0.49) AOC3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL17282038 0.84 SIGMAR1 (0.47) AOC3SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL1971180 0.83 CALM1 (0.47) AOC3
SCHEMBL1965728 0.81 AOC3 (0.63) AOC3SIGMAR1TAAR1HRH3
SCHEMBL17802024 0.81 L3MBTL1 (0.48) AOC3SIGMAR1SMN1; SMN2
SCHEMBL1971365 0.81 SLC6A4 (0.54) SLC6A4SLC6A3
SCHEMBL11429433 0.81 ADRA1D (0.46) AOC3SIGMAR1SMN1; SMN2SMPD1

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 AOC3 550/4885SIGMAR1 108/4885SLC6A2 430/4885

“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.