SCHEMBL1966896

SCHEMBL1966896

COc1ccc(CCN(CC2CC2)C(=O)c2ncccc2Br)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 3/20 0.42
CYP3A4 P08684 2/20 0.42
CHRM5 P08912 3/20 0.42
CHRM1 P11229 3/20 0.42
CHRM3 P20309 3/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
RAF1 P04049 2/20 0.40
MAP2K1 Q02750 2/20 0.40
LPAR1 Q92633 2/20 0.40
LPAR5 Q9H1C0 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL2405146 0.87 RAF1 (0.44) KMT2AALDH1A1MEN1CYP3A4CHRM5
SCHEMBL1968992 0.84 ALDH1A1 (0.45) KMT2AALDH1A1MEN1CYP3A4CHRM5
SCHEMBL1971362 0.83 ALDH1A1 (0.44) KMT2AALDH1A1MEN1CYP3A4CHRM5
SCHEMBL1969820 0.83 OXTR (0.41) KMT2AALDH1A1MEN1CYP3A4CHRM5
SCHEMBL1969922 0.83 HCRTR1 (0.46) KMT2AALDH1A1MEN1CYP3A4CHRM5
SCHEMBL1967737 0.83 HCRTR1 (0.46) KMT2AALDH1A1MEN1CYP3A4CHRM5
SCHEMBL2403444 0.82 KMT2A (0.48) KMT2AALDH1A1MEN1CYP3A4CHRM5
SCHEMBL2405626 0.80 ALDH1A1 (0.45) KMT2AALDH1A1MEN1CYP3A4CHRM5
SCHEMBL1964267 0.79 MAPT (0.45) ALDH1A1CHRM5CHRM1CHRM3KDM4E
SCHEMBL2407221 0.78 HCRTR1 (0.49) KMT2AALDH1A1MEN1CYP3A4CHRM5

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 KMT2A 253/4885ALDH1A1 2292/4885MEN1 525/4885

“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.