SCHEMBL1968992

SCHEMBL1968992

COc1ccc(CCN(CC2CC2)C(=O)c2ncccc2-c2ccc(C)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
OXTR P30559 2/20 0.43
AVPR1A P37288 2/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
AKT1 P31749 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALOX15 P16050 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
SCHEMBL1969922 0.91 HCRTR1 (0.46) ALDH1A1L3MBTL1OXTRAVPR1ANPC1
SCHEMBL1969820 0.91 OXTR (0.41) ALDH1A1L3MBTL1OXTRAVPR1ALMNA
SCHEMBL1971362 0.88 ALDH1A1 (0.44) ALDH1A1LMNAKMT2AMEN1CYP3A4
SCHEMBL2405626 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1OXTRAVPR1AKDM4E
SCHEMBL1966896 0.84 KMT2A (0.46) ALDH1A1L3MBTL1KDM4EKMT2AMEN1
SCHEMBL2410361 0.83 OXTR (0.44) ALDH1A1L3MBTL1OXTRAVPR1AKDM4E
SCHEMBL1967737 0.81 HCRTR1 (0.46) ALDH1A1L3MBTL1KDM4ENPC1KMT2A
SCHEMBL2409952 0.80 TP53 (0.42) ALDH1A1L3MBTL1OXTRAVPR1ANPC1
SCHEMBL2407221 0.80 HCRTR1 (0.49) ALDH1A1L3MBTL1KDM4ENPC1KMT2A
SCHEMBL2405146 0.80 RAF1 (0.44) ALDH1A1L3MBTL1KDM4ELMNAKMT2A

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 ALDH1A1 2292/4885L3MBTL1 3230/4885OXTR 16/4885

“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.