SCHEMBL1968066

SCHEMBL1968066

COc1ccc(C(O)CN(CC2CC2)C(=O)c2sc(C)nc2-c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
LTC4S Q16873 5/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
PDE4B Q07343 1/20 0.35
CTSA P10619 1/20 0.35
CRHR1 P34998 1/20 0.35
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
CXCR3 P49682 3/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 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
SCHEMBL1968513 0.93 HCRTR1 (0.41) LMNAMAPTLTC4SHCRTR1HCRTR2
SCHEMBL1967954 0.92 HCRTR1 (0.40) LMNAMAPTLTC4SPTGDR2HCRTR1
SCHEMBL1969374 0.91 HCRTR1 (0.42) LMNAMAPTLTC4SHCRTR1HCRTR2
SCHEMBL2407387 0.88 HCRTR1 (0.41) LMNAMAPTLTC4SHCRTR1HCRTR2
SCHEMBL1970015 0.84 RORB (0.41) LMNAMAPTLTC4SPDE4BCTSA
SCHEMBL1971191 0.83 LMNA (0.42) LMNAMAPTLTC4SHCRTR1HCRTR2
SCHEMBL2407515 0.81 HCRTR1 (0.42) HCRTR1HCRTR2CXCR3
SCHEMBL2405085 0.79 HCRTR1 (0.43) HCRTR1HCRTR2PDE4BMEN1KMT2A
SCHEMBL2405009 0.79 HCRTR1 (0.44) LMNAMAPTHCRTR1HCRTR2PDE4B
SCHEMBL1970670 0.78 HCRTR1 (0.44) LMNAMAPTHCRTR1HCRTR2PDE4B

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 LMNA 2416/4885MAPT 1419/4885LTC4S 2070/4885

“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.