SCHEMBL1968244

SCHEMBL1968244

COc1ccc(CCN(CC2CC2)C(=O)c2nc(N)sc2-c2cccc(Cl)c2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.51
HCRTR2 O43614 8/20 0.51
USP2 O75604 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
F7 P08709 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
KCNH2 Q12809 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL1967334 0.91 HCRTR1 (0.51) HCRTR1HCRTR2SMN1; SMN2F2F10
SCHEMBL1967048 0.91 ALDH1A1 (0.44) HCRTR1HCRTR2SMN1; SMN2F2F10
SCHEMBL1970804 0.91 TP53 (0.43) HCRTR1HCRTR2SMN1; SMN2F2F10
SCHEMBL2406960 0.87 HCRTR1 (0.43) HCRTR1HCRTR2USP2SMN1; SMN2F2
SCHEMBL1972116 0.86 HCRTR1 (0.45) HCRTR1HCRTR2USP2LMNASMN1; SMN2
SCHEMBL1969095 0.86 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2F2F10
SCHEMBL1965725 0.86 HCRTR1 (0.46) HCRTR1HCRTR2SMN1; SMN2F2F10
SCHEMBL1970881 0.86 HCRTR1 (0.45) HCRTR1HCRTR2SMN1; SMN2DRD2DRD3
SCHEMBL1971125 0.85 HCRTR1 (0.44) HCRTR1HCRTR2DRD2DRD3
SCHEMBL1969080 0.85 HCRTR1 (0.45) HCRTR1HCRTR2F2F10F7

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 1/4885USP2 3137/4885

“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.