SCHEMBL1974543

SCHEMBL1974543

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nccnc2-c2ccccc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
LPAR1 Q92633 6/20 0.38
LPAR5 Q9H1C0 6/20 0.38
LTC4S Q16873 3/20 0.38
PDE4B Q07343 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.35
EPAS1 Q99814 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL1970924 0.84 KDM4E (0.38) LPAR1LPAR5LTC4SPDE4BKDM4E
SCHEMBL1971740 0.82 KDM4E (0.38) LPAR1LPAR5LTC4SPDE4BKDM4E
SCHEMBL1967737 0.82 HCRTR1 (0.46) HCRTR1HCRTR2LPAR1LPAR5KDM4E
SCHEMBL1970670 0.82 HCRTR1 (0.44) HCRTR1HCRTR2PDE4B
SCHEMBL1966594 0.81 KDM4E (0.43) HCRTR1HCRTR2LPAR1LPAR5LTC4S
SCHEMBL1973040 0.80 HCRTR1 (0.38) HCRTR1HCRTR2LPAR1LPAR5LTC4S
SCHEMBL2405173 0.78 HCRTR2 (0.40) HCRTR1HCRTR2LTC4SPDE4BOXTR
SCHEMBL1966277 0.78 HCRTR1 (0.38) HCRTR1HCRTR2LPAR1LPAR5LTC4S
SCHEMBL1968328 0.77 HCRTR2 (0.43) HCRTR1HCRTR2LTC4SPDE4BOXTR
SCHEMBL1970381 0.77 CYP1A2 (0.40) HCRTR1HCRTR2LPAR1LPAR5LTC4S

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 4 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
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

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 1/4885LPAR1 186/4885

“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.