SCHEMBL1967188

SCHEMBL1967188

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(F)c2)cc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 2/20 0.36
HCRTR1 O43613 5/20 0.36
HCRTR2 O43614 5/20 0.36
TP53 P04637 1/20 0.35
S1PR1 P21453 2/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
RCE1 Q9Y256 1/20 0.34
CTSA P10619 2/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DHPS P49366 1/20 0.33
PI4KB Q9UBF8 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 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
SCHEMBL1967405 0.92 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1966594 0.91 KDM4E (0.43) LPAR1LPAR5HCRTR1HCRTR2TP53
SCHEMBL1968403 0.91 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL2406784 0.90 HCRTR1 (0.39) LPAR1LPAR5HCRTR1HCRTR2TP53
SCHEMBL1966449 0.88 LPAR1 (0.35) LPAR1LPAR5HCRTR1HCRTR2TP53
SCHEMBL2404306 0.87 OXTR (0.38) HCRTR1HCRTR2TP53KDM4EALDH1A1
SCHEMBL1970381 0.86 CYP1A2 (0.40) LPAR1LPAR5HCRTR1HCRTR2TP53
SCHEMBL1970804 0.84 TP53 (0.43) LPAR1LPAR5HCRTR1HCRTR2TP53
SCHEMBL1969058 0.84 HCRTR1 (0.45) LPAR1LPAR5HCRTR1HCRTR2PDE4B
SCHEMBL1965921 0.83 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 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.