SCHEMBL1966445

SCHEMBL1966445

COc1ccc(CCN(Cc2ccccc2)CC(C)C)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.65
HTR2A P28223 3/20 0.62
HTR2C P28335 3/20 0.62
HTR2B P41595 3/20 0.62
SIGMAR1 Q99720 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
BLM P54132 2/20 0.54
KDM4E B2RXH2 2/20 0.54
EBP Q15125 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
CYP2C9 P11712 1/20 0.54
AOC3 Q16853 1/20 0.54
PMP22 Q01453 1/20 0.51
BCHE P06276 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ACHE P22303 1/20 0.51
HTT P42858 1/20 0.51
ADRB1 P08588 1/20 0.51

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
SCHEMBL2325918 0.89 L3MBTL1 (0.80) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL1966402 0.85 L3MBTL1 (0.70) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL1966589 0.84 SIGMAR1 (0.70) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL22340929 0.82 AOC3 (0.58) L3MBTL1SIGMAR1CYP1A2CYP2D6CYP2C9
SCHEMBL1969501 0.81 ALDH1A1 (0.60) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL1971342 0.81 BCHE (0.67) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11707720 0.81 KDM4E (0.58) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL11709098 0.81 L3MBTL1 (0.57) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL1967511 0.80 L3MBTL1 (0.73) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL10390463 0.79 KDM4E (0.80) L3MBTL1HTR2AHTR2CHTR2BCYP1A2

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 disclosed
CN-102164896-A Phenethylamide derivatives and their heterocyclic analogues ACTELION PHARMACEUTICALS LTD 2011-08-24 CN 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 L3MBTL1 3230/4885HTR2A 46/4885HTR2C 80/4885

“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.