SCHEMBL1966449

SCHEMBL1966449

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(N)sc2-c2ccccc2F)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.35
LPAR5 Q9H1C0 5/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
PDE4B Q07343 6/20 0.33
PDE4A P27815 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
TNF P01375 1/20 0.33
KCNH2 Q12809 1/20 0.33
SCN3A Q9NY46 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1966594 0.89 KDM4E (0.43) LPAR1LPAR5HCRTR1HCRTR2TP53
SCHEMBL1967188 0.88 LPAR1 (0.36) LPAR1LPAR5HCRTR1HCRTR2TP53
SCHEMBL1967405 0.86 HCRTR1 (0.44) HCRTR1HCRTR2PDE4BOXTRAVPR1A
SCHEMBL1967610 0.86 LPAR1 (0.36) LPAR1LPAR5TP53HTTPDE4B
SCHEMBL1968403 0.85 HCRTR1 (0.44) HCRTR1HCRTR2OXTRL3MBTL1KDM4E
SCHEMBL1965407 0.85 HCRTR1 (0.39) LPAR1LPAR5HCRTR1HCRTR2PDE4B
SCHEMBL2404306 0.85 OXTR (0.38) HCRTR1HCRTR2TP53HTTPDE4B
SCHEMBL1968965 0.84 CHRM5 (0.40) LPAR1LPAR5L3MBTL1KDM4EALDH1A1
SCHEMBL2407273 0.80 HCRTR1 (0.40) HCRTR1HCRTR2PDE4BOXTRAVPR1A
SCHEMBL2405085 0.80 HCRTR1 (0.43) HCRTR1HCRTR2PDE4B

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 LPAR1 186/4885LPAR5 400/4885HCRTR1 2/4885

“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.