SCHEMBL2407387

SCHEMBL2407387

COc1cccc(-c2nc(C)sc2C(=O)N(CC2CC2)CC(O)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
WDR5 P61964 7/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CTSA P10619 2/20 0.38
PDE4B Q07343 2/20 0.37
BRAF P15056 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 1/20 0.35
GNRHR P30968 2/20 0.35
AOC3 Q16853 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LTC4S Q16873 1/20 0.34

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
SCHEMBL1969374 0.92 HCRTR1 (0.42) HCRTR1HCRTR2LMNAMAPTCTSA
SCHEMBL1970015 0.90 RORB (0.41) LMNAMAPTCTSAPDE4BLTC4S
SCHEMBL1968513 0.89 HCRTR1 (0.41) HCRTR1HCRTR2WDR5LMNAMAPT
SCHEMBL1967954 0.88 HCRTR1 (0.40) HCRTR1HCRTR2LMNAMAPTCTSA
SCHEMBL1968066 0.88 LMNA (0.39) HCRTR1HCRTR2LMNAMAPTCTSA
SCHEMBL1968387 0.84 HCRTR1 (0.48) HCRTR1HCRTR2WDR5LMNAMAPT
SCHEMBL1970670 0.81 HCRTR1 (0.44) HCRTR1HCRTR2LMNAMAPTPDE4B
SCHEMBL1965921 0.81 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1966277 0.81 HCRTR1 (0.38) HCRTR1HCRTR2WDR5MAPTCTSA
SCHEMBL1971740 0.78 KDM4E (0.38) MAPTPDE4BLTC4S

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 1/4885WDR5 1181/4885

“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.