SCHEMBL2408710

SCHEMBL2408710

COc1ccc(-c2sc(C)nc2C(=O)N(CCc2c[nH]c3ccc(OC)c(C)c23)CC2CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.43
HCRTR1 O43613 15/20 0.43
WDR5 P61964 2/20 0.33
HTR1A P08908 1/20 0.33
TLR9 Q9NR96 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
SCHEMBL2405133 0.88 HCRTR1 (0.42) HCRTR2HCRTR1
SCHEMBL2408416 0.86 HCRTR2 (0.45) HCRTR2HCRTR1HTR1A
SCHEMBL2410004 0.85 HCRTR2 (0.45) HCRTR2HCRTR1HTR1A
SCHEMBL2405186 0.85 HCRTR2 (0.53) HCRTR2HCRTR1HTR1A
SCHEMBL2405425 0.85 HCRTR2 (0.42) HCRTR2HCRTR1HTR1A
SCHEMBL2406018 0.85 HCRTR2 (0.41) HCRTR2HCRTR1
SCHEMBL2406185 0.84 HCRTR2 (0.41) HCRTR2HCRTR1HTR1A
SCHEMBL2404417 0.84 TDO2 (0.45) HCRTR2HCRTR1HTR1A
SCHEMBL2409735 0.84 HCRTR2 (0.46) HCRTR2HCRTR1
SCHEMBL2405315 0.83 HCRTR2 (0.42) HCRTR2HCRTR1

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 2 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
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US 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 HCRTR2 1/4885HCRTR1 2/4885WDR5 1181/4885

“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.