SCHEMBL1968841

SCHEMBL1968841

COc1cccc(-c2scnc2C(=O)N(CCc2ccc(OC)c(OC)c2)CC2CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 4/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
WDR5 P61964 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38

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
SCHEMBL1967192 0.92 HCRTR1 (0.45) HCRTR1HCRTR2MAPTALDH1A1MEN1
SCHEMBL1964267 0.91 MAPT (0.45) MAPTALDH1A1POLBCHRM5CHRM1
SCHEMBL1967545 0.91 TP53 (0.44) MAPTHTR2AHTR2CHTR2BMEN1
SCHEMBL1972116 0.91 HCRTR1 (0.45) HCRTR1HCRTR2MAPTHTR2AHTR2C
SCHEMBL1968184 0.89 LTC4S (0.42) HCRTR1HCRTR2MAPTMEN1KMT2A
SCHEMBL1969373 0.86 LPAR1 (0.43) HCRTR1HCRTR2MAPTALDH1A1HTR2A
SCHEMBL1971362 0.85 ALDH1A1 (0.44) HCRTR1HCRTR2MAPTALDH1A1HTR2A
SCHEMBL1966277 0.84 HCRTR1 (0.38) HCRTR1HCRTR2MAPTCYP3A4SMN1; SMN2
SCHEMBL1970480 0.83 CHRM5 (0.42) MAPTALDH1A1CHRM5CHRM1CHRM3
SCHEMBL2403835 0.82 ALDH1A1 (0.45) HCRTR1HCRTR2MAPTALDH1A1HTR2A

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 HCRTR1 2/4885HCRTR2 1/4885MAPT 1419/4885

“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.