SCHEMBL1969095

SCHEMBL1969095

CCOc1ccc(CCN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(C)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.46
HCRTR2 O43614 9/20 0.46
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
CALM1 P0DP23 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
F7 P08709 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
SCHEMBL1965725 0.97 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2NPC1MAPT
SCHEMBL1967334 0.95 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2NPC1MAPT
SCHEMBL1970881 0.91 HCRTR1 (0.45) HCRTR1HCRTR2SMN1; SMN2NPC1DRD2
SCHEMBL1971125 0.90 HCRTR1 (0.44) HCRTR1HCRTR2DRD2DRD3
SCHEMBL1972064 0.90 HCRTR1 (0.45) HCRTR1HCRTR2NPC1DRD2DRD3
SCHEMBL1970326 0.89 HCRTR1 (0.44) HCRTR1HCRTR2NPC1DRD2DRD3
SCHEMBL1968475 0.88 HCRTR1 (0.45) HCRTR1HCRTR2SMN1; SMN2
SCHEMBL1969080 0.88 HCRTR1 (0.45) HCRTR1HCRTR2NPC1DRD2DRD3
SCHEMBL1966616 0.88 HCRTR1 (0.43) HCRTR1HCRTR2NPC1DRD2DRD3
SCHEMBL1968457 0.87 HCRTR1 (0.60) HCRTR1HCRTR2NPC1

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 1/4885SMN1; SMN2 3751/4885

“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.