SCHEMBL1969287

SCHEMBL1969287

COc1ccc(CCN(CC2CC2)C(=O)c2nc(C3CC3)sc2-c2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HCRTR1 O43613 5/20 0.40
HCRTR2 O43614 5/20 0.40
LTC4S Q16873 1/20 0.39
KMT2A Q03164 2/20 0.38
GPR52 Q9Y2T5 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 1/20 0.36
SCD O00767 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1970040 0.90 HCRTR1 (0.38) KDM4ETDP1HCRTR1HCRTR2KMT2A
SCHEMBL2407884 0.90 TP53 (0.42) HCRTR1HCRTR2KMT2ASMN1; SMN2F2
SCHEMBL1967329 0.89 HCRTR1 (0.50) HCRTR1HCRTR2F2F10F7
SCHEMBL1967471 0.89 CHRM5 (0.42) KDM4EHCRTR1HCRTR2F2F10
SCHEMBL1968184 0.86 LTC4S (0.42) KDM4ETDP1HCRTR1HCRTR2LTC4S
SCHEMBL1965767 0.86 HCRTR1 (0.48) HCRTR1HCRTR2LTC4SKMT2AMEN1
SCHEMBL1967810 0.85 AKR1C3 (0.39) HCRTR1HCRTR2LTC4SGPR52SCD
SCHEMBL2410001 0.85 HCRTR1 (0.42) KDM4EHCRTR1HCRTR2SMN1; SMN2NPSR1
SCHEMBL1969317 0.85 HCRTR1 (0.43) HCRTR1HCRTR2KMT2AMEN1NPSR1
SCHEMBL1966986 0.82 HCRTR1 (0.45) KDM4ETDP1HCRTR1HCRTR2LTC4S

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 KDM4E 452/4885TDP1 4608/4885HCRTR1 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.