SCHEMBL2407221

SCHEMBL2407221

COc1ccc(CCN(CC2CC2)C(=O)c2cccnc2-c2cccc(C)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.49
HCRTR2 O43614 5/20 0.49
NPC1 O15118 1/20 0.44
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
RAF1 P04049 1/20 0.40
MAP2K1 Q02750 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 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
SCHEMBL2403835 0.91 ALDH1A1 (0.45) HCRTR1HCRTR2F2F10F7
SCHEMBL2405626 0.91 ALDH1A1 (0.45) HCRTR1HCRTR2NPC1F2F10
SCHEMBL2409952 0.90 TP53 (0.42) NPC1F2F10F7ALDH1A1
SCHEMBL1969922 0.87 HCRTR1 (0.46) HCRTR1HCRTR2NPC1F2F10
SCHEMBL2406630 0.84 NPC1 (0.43) HCRTR1HCRTR2NPC1F2F10
SCHEMBL2405146 0.83 RAF1 (0.44) HCRTR1HCRTR2F2F10F7
SCHEMBL1967192 0.82 HCRTR1 (0.45) HCRTR1HCRTR2NPC1F2F10
SCHEMBL1967737 0.80 HCRTR1 (0.46) HCRTR1HCRTR2NPC1ALDH1A1MEN1
SCHEMBL1968992 0.80 ALDH1A1 (0.45) HCRTR1HCRTR2NPC1ALDH1A1MEN1
SCHEMBL1968457 0.80 HCRTR1 (0.60) HCRTR1HCRTR2NPC1

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 HCRTR1 2/4885HCRTR2 1/4885NPC1 1540/4885

“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.