SCHEMBL1966277

SCHEMBL1966277

COc1cccc(-c2scnc2C(=O)N(CC2CC2)CC(O)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
WDR5 P61964 6/20 0.37
LTC4S Q16873 2/20 0.35
PDE4B Q07343 1/20 0.35
AOC3 Q16853 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSA P10619 1/20 0.34
MAPT P10636 1/20 0.34
KLK3 P07288 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPK10 P53779 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 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
SCHEMBL2405173 0.92 HCRTR2 (0.40) HCRTR1HCRTR2LTC4SPDE4BCTSA
SCHEMBL1970924 0.92 KDM4E (0.38) LTC4SPDE4BLPAR1LPAR5
SCHEMBL1970381 0.91 CYP1A2 (0.40) HCRTR1HCRTR2LTC4SPDE4BCTSA
SCHEMBL1968328 0.91 HCRTR2 (0.43) HCRTR1HCRTR2LTC4SPDE4BCTSA
SCHEMBL1968543 0.89 LTC4S (0.41) LTC4SCTSA
SCHEMBL1967956 0.87 LPAR1 (0.38) HCRTR1HCRTR2LTC4SPDE4BMAPT
SCHEMBL1968841 0.84 HCRTR1 (0.45) HCRTR1HCRTR2WDR5LTC4SMAPT
SCHEMBL1967610 0.84 LPAR1 (0.36) PDE4BLPAR1LPAR5
SCHEMBL2407387 0.81 HCRTR1 (0.41) HCRTR1HCRTR2WDR5LTC4SPDE4B
SCHEMBL1967781 0.80 HCRTR1 (0.45) HCRTR1HCRTR2LTC4SPDE4BCTSA

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 6 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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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.