SCHEMBL2406402

SCHEMBL2406402

COc1cccc(-c2oc(C)nc2C(=O)N(CCc2ccc(OC)c(OC)c2)CC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.47
HCRTR2 O43614 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
WDR5 P61964 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1966986 0.89 HCRTR1 (0.45) HCRTR1HCRTR2SMN1; SMN2MAPTLMNA
SCHEMBL1968841 0.82 HCRTR1 (0.45) HCRTR1HCRTR2SMN1; SMN2MAPTHTR2A
SCHEMBL1971362 0.82 ALDH1A1 (0.44) HCRTR1HCRTR2SMN1; SMN2MAPTHTR2A
SCHEMBL1968387 0.81 HCRTR1 (0.48) HCRTR1HCRTR2SMN1; SMN2MAPTHTR2A
SCHEMBL2403835 0.79 ALDH1A1 (0.45) HCRTR1HCRTR2SMN1; SMN2MAPTHTR2A
SCHEMBL2403390 0.78 DGAT2 (0.42) SMN1; SMN2MAPTMEN1LMNAKMT2A
SCHEMBL1971975 0.76 HCRTR1 (0.50) HCRTR1HCRTR2SMN1; SMN2MAPTHPGD
SCHEMBL1968457 0.76 HCRTR1 (0.60) HCRTR1HCRTR2NPC1
SCHEMBL1967386 0.75 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2F2F10
SCHEMBL1967823 0.75 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2KMT2AF2

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 1/4885SMN1; SMN2 3751/4885

“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.