SCHEMBL1967553

SCHEMBL1967553

COc1ccc(CCN(CC(F)(F)F)C(=O)c2nc(N)sc2-c2cccc(C)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.46
HCRTR2 O43614 4/20 0.46
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
MAPT P10636 4/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 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
SCHEMBL1966981 0.90 HCRTR1 (0.48) HCRTR1HCRTR2NPC1SMN1; SMN2ALDH1A1
SCHEMBL1969101 0.89 HCRTR1 (0.47) HCRTR1HCRTR2NPC1SMN1; SMN2ALDH1A1
SCHEMBL1968983 0.89 HCRTR1 (0.47) HCRTR1HCRTR2NPC1SMN1; SMN2ALDH1A1
SCHEMBL1968667 0.89 HCRTR1 (0.47) HCRTR1HCRTR2NPC1SMN1; SMN2ALDH1A1
SCHEMBL1965918 0.88 HCRTR1 (0.47) HCRTR1HCRTR2NPC1SMN1; SMN2ALDH1A1
SCHEMBL1968343 0.88 HCRTR1 (0.47) HCRTR1HCRTR2NPC1SMN1; SMN2ALDH1A1
SCHEMBL1966801 0.88 HCRTR1 (0.46) HCRTR1HCRTR2NPC1SMN1; SMN2ALDH1A1
SCHEMBL1967102 0.86 NPC1 (0.54) HCRTR1HCRTR2NPC1ALDH1A1KMT2A
SCHEMBL1967334 0.86 HCRTR1 (0.51) HCRTR1HCRTR2NPC1SMN1; SMN2ALDH1A1
SCHEMBL1966348 0.84 HCRTR1 (0.46) HCRTR1HCRTR2NPC1SMN1; SMN2MEN1

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 4 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
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

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 1/4885NPC1 1540/4885

“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.