SCHEMBL1968184

SCHEMBL1968184

COc1ccc(CCN(CC2CC2)C(=O)c2ncsc2-c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RORB Q92753 2/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 1/20 0.38
MAPT P10636 1/20 0.37
AKR1C3 P42330 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.37
RORC P51449 1/20 0.37
PTGER1 P34995 1/20 0.37

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
SCHEMBL1967545 0.90 TP53 (0.44) KMT2ALMNAMAPTMEN1
SCHEMBL1967192 0.89 HCRTR1 (0.45) LTC4SKMT2ALMNASMN1; SMN2MAPT
SCHEMBL1968841 0.89 HCRTR1 (0.45) LTC4SKMT2ASMN1; SMN2MAPTHCRTR1
SCHEMBL1964267 0.88 MAPT (0.45) KDM4EMAPT
SCHEMBL1972116 0.88 HCRTR1 (0.45) LTC4SLMNASMN1; SMN2MAPTHCRTR1
SCHEMBL1969287 0.86 KDM4E (0.41) LTC4SKDM4ETDP1KMT2ALMNA
SCHEMBL1968543 0.85 LTC4S (0.41) LTC4SRORBSCDAKR1C3RORC
SCHEMBL1969373 0.85 LPAR1 (0.43) LTC4SKMT2ASMN1; SMN2MAPTHCRTR1
SCHEMBL1966986 0.83 HCRTR1 (0.45) LTC4SKDM4ETDP1KMT2ALMNA
SCHEMBL1970480 0.82 CHRM5 (0.42) KDM4ELMNAMAPT

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 LTC4S 2070/4885KDM4E 452/4885TDP1 4608/4885

“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.