SCHEMBL1967554

SCHEMBL1967554

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.47
HCRTR1 O43613 8/20 0.47
HCRTR2 O43614 8/20 0.47
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.43
CDK8 P49336 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42

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) KMT2AHCRTR1HCRTR2TP53POLB
SCHEMBL1970656 0.88 NPC1 (0.42) KMT2ANPC1HCRTR1HCRTR2TP53
SCHEMBL1965478 0.88 HCRTR1 (0.45) KMT2AHCRTR1HCRTR2TP53POLB
SCHEMBL1966511 0.88 HCRTR1 (0.45) HCRTR1HCRTR2TP53POLB
SCHEMBL1969385 0.88 HCRTR1 (0.45) KMT2AHCRTR1HCRTR2TP53POLB
SCHEMBL1970232 0.87 HCRTR1 (0.44) HCRTR1HCRTR2TP53POLB
SCHEMBL2405388 0.87 HCRTR1 (0.44) KMT2AHCRTR1HCRTR2TP53POLB
SCHEMBL1967147 0.86 HCRTR1 (0.44) KMT2AHCRTR1HCRTR2GAATP53
SCHEMBL1964771 0.86 HCRTR1 (0.51) KMT2AHCRTR1HCRTR2TP53POLB
SCHEMBL2405437 0.86 HCRTR1 (0.49) KMT2ANPC1HCRTR1HCRTR2TP53

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 KMT2A 253/4885NPC1 1540/4885HCRTR1 2/4885

“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.