SCHEMBL2405441

SCHEMBL2405441

COc1cc(CCN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(C)c2)cc(OC)c1OC(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 14/20 0.41
HCRTR2 O43614 14/20 0.41
LTC4S Q16873 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CRHR1 P34998 1/20 0.33
WDR5 P61964 1/20 0.33

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
SCHEMBL1968475 0.93 HCRTR1 (0.45) HCRTR1HCRTR2LTC4SKDM4EALDH1A1
SCHEMBL1967334 0.88 HCRTR1 (0.51) HCRTR1HCRTR2ALDH1A1SMN1; SMN2
SCHEMBL1971125 0.87 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1969080 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1972064 0.87 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1969722 0.87 HCRTR1 (0.49) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1970881 0.86 HCRTR1 (0.45) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1968757 0.85 HCRTR1 (0.44) HCRTR1HCRTR2KDM4EALDH1A1HPGD
SCHEMBL1965725 0.85 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL1969095 0.85 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2

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 HCRTR1 2/4885HCRTR2 1/4885LTC4S 2070/4885

“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.