SCHEMBL1968414

SCHEMBL1968414

COc1ccc(CCN(CC(F)(F)F)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.44
HCRTR2 O43614 8/20 0.44
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 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
NAMPT P43490 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
SCHEMBL1970960 0.89 HCRTR1 (0.46) HCRTR1HCRTR2TP53POLBSMN1; SMN2
SCHEMBL1965478 0.89 HCRTR1 (0.45) HCRTR1HCRTR2TP53POLBSMN1; SMN2
SCHEMBL1969385 0.89 HCRTR1 (0.45) HCRTR1HCRTR2TP53POLBSMN1; SMN2
SCHEMBL1966348 0.88 HCRTR1 (0.46) HCRTR1HCRTR2TP53SMN1; SMN2MAPT
SCHEMBL2405388 0.88 HCRTR1 (0.44) HCRTR1HCRTR2TP53POLBSMN1; SMN2
SCHEMBL1970232 0.88 HCRTR1 (0.44) HCRTR1HCRTR2TP53POLBSMN1; SMN2
SCHEMBL1967147 0.87 HCRTR1 (0.44) HCRTR1HCRTR2TP53POLBSMN1; SMN2
SCHEMBL1967554 0.86 KMT2A (0.48) HCRTR1HCRTR2TP53POLBKMT2A
SCHEMBL1970052 0.85 HCRTR1 (0.48) HCRTR1HCRTR2TP53POLBSMN1; SMN2
SCHEMBL1964771 0.83 HCRTR1 (0.51) HCRTR1HCRTR2TP53POLBSMN1; 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 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 1/4885TP53 4826/4885

“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.