SCHEMBL2409952

SCHEMBL2409952

COc1ccc(CCN(CC2CC2)C(=O)c2cccnc2-c2ccc(C)c(C)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 2/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 3/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL2405626 0.91 ALDH1A1 (0.45) ALDH1A1L3MBTL1F2F10F7
SCHEMBL2407221 0.90 HCRTR1 (0.49) ALDH1A1L3MBTL1F2F10F7
SCHEMBL2403835 0.88 ALDH1A1 (0.45) ALDH1A1F2F10F7RAF1
SCHEMBL1969820 0.87 OXTR (0.41) TP53ALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL2408028 0.83 LMNA (0.41) TP53ALDH1A1F2LMNAKMT2A
SCHEMBL2405146 0.83 RAF1 (0.44) ALDH1A1L3MBTL1F2F10F7
SCHEMBL1968992 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1LMNAKMT2AOXTR
SCHEMBL1970052 0.79 HCRTR1 (0.48) TP53ALDH1A1LMNAKMT2AOXTR
SCHEMBL1967737 0.79 HCRTR1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1CYP3A4
SCHEMBL1966896 0.78 KMT2A (0.46) ALDH1A1L3MBTL1RAF1MAP2K1KMT2A

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 2 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
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US 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 TP53 4826/4885ALDH1A1 2292/4885L3MBTL1 3230/4885

“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.