SCHEMBL1969374

SCHEMBL1969374

COc1ccc(C(O)CN(CC2CC2)C(=O)c2sc(C)nc2-c2cccc(Cl)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
CTSA P10619 4/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
LTC4S Q16873 2/20 0.37
OXTR P30559 1/20 0.37
CNR2 P34972 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE4B Q07343 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34
CRHR1 P34998 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
SCHEMBL2407387 0.92 HCRTR1 (0.41) HCRTR1HCRTR2CTSAMAPTLMNA
SCHEMBL1968066 0.91 LMNA (0.39) HCRTR1HCRTR2CTSAMAPTLMNA
SCHEMBL1970015 0.89 RORB (0.41) CTSAMAPTLMNALTC4SKMT2A
SCHEMBL1968513 0.88 HCRTR1 (0.41) HCRTR1HCRTR2CTSAMAPTLMNA
SCHEMBL1967954 0.86 HCRTR1 (0.40) HCRTR1HCRTR2CTSAMAPTLMNA
SCHEMBL1967450 0.84 HCRTR1 (0.48) HCRTR1HCRTR2MAPTLMNALTC4S
SCHEMBL1968403 0.82 HCRTR1 (0.44) HCRTR1HCRTR2CTSAMAPTLTC4S
SCHEMBL1968328 0.80 HCRTR2 (0.43) HCRTR1HCRTR2CTSALTC4SOXTR
SCHEMBL1970670 0.80 HCRTR1 (0.44) HCRTR1HCRTR2MAPTLMNAPDE4B
SCHEMBL1965921 0.79 HCRTR1 (0.53) HCRTR1HCRTR2

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 1/4885CTSA 731/4885

“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.