SCHEMBL1970656

SCHEMBL1970656

COc1ccc(CCN(C)C(=O)N(C)C)cc1OC.Cc1nc(C(=O)O)c(-c2ccc(C)c(C)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
HCRTR1 O43613 8/20 0.42
HCRTR2 O43614 8/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CDK8 P49336 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1967554 0.88 KMT2A (0.48) NPC1TP53HCRTR1HCRTR2KMT2A
SCHEMBL1966243 0.87 HCRTR1 (0.45) NPC1TP53HCRTR1HCRTR2MAPT
SCHEMBL1970960 0.81 HCRTR1 (0.46) TP53HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL1965478 0.80 HCRTR1 (0.45) TP53HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL1966511 0.80 HCRTR1 (0.45) TP53HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL1969385 0.80 HCRTR1 (0.45) TP53HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL1969710 0.80 NPC1 (0.48) NPC1HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL1970232 0.80 HCRTR1 (0.44) TP53HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL2405388 0.80 HCRTR1 (0.44) TP53HCRTR1HCRTR2MAPTALDH1A1
SCHEMBL1964771 0.79 HCRTR1 (0.51) TP53HCRTR1HCRTR2MAPTALDH1A1

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 NPC1 1540/4885TP53 4826/4885HCRTR1 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.