SCHEMBL1967147

SCHEMBL1967147

COc1ccc(CCN(CC(C)C)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.44
HCRTR2 O43614 8/20 0.44
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.38
NAMPT P43490 1/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1970960 0.90 HCRTR1 (0.46) HCRTR1HCRTR2TP53POLBKDM4E
SCHEMBL1969385 0.89 HCRTR1 (0.45) HCRTR1HCRTR2TP53POLBKDM4E
SCHEMBL1965478 0.89 HCRTR1 (0.45) HCRTR1HCRTR2TP53POLBKDM4E
SCHEMBL1970232 0.89 HCRTR1 (0.44) HCRTR1HCRTR2TP53POLBKDM4E
SCHEMBL2405388 0.89 HCRTR1 (0.44) HCRTR1HCRTR2TP53POLBKDM4E
SCHEMBL1966511 0.88 HCRTR1 (0.45) HCRTR1HCRTR2TP53POLBKDM4E
SCHEMBL1967892 0.87 HCRTR1 (0.46) HCRTR1HCRTR2TP53SMN1; SMN2MAPT
SCHEMBL1968414 0.87 HCRTR1 (0.44) HCRTR1HCRTR2TP53POLBKDM4E
SCHEMBL1967554 0.86 KMT2A (0.48) HCRTR1HCRTR2TP53POLBKMT2A
SCHEMBL1970052 0.86 HCRTR1 (0.48) HCRTR1HCRTR2TP53POLBKDM4E

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 4 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
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

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 HCRTR1 2/4885HCRTR2 1/4885TP53 4826/4885

“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.