SCHEMBL1969501

SCHEMBL1969501

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
KDM4E B2RXH2 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
BLM P54132 2/20 0.56
CYP2C9 P11712 1/20 0.56
HTR2A P28223 2/20 0.55
HTR2C P28335 2/20 0.55
HTR2B P41595 2/20 0.55
PMP22 Q01453 1/20 0.54
AOC3 Q16853 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMPD1 P17405 1/20 0.51
PDE4D Q08499 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
EBP Q15125 1/20 0.50

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 0.82 L3MBTL1 (0.80) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL22043231 0.82 CYP1A2 (0.61) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL20871295 0.81 ALOX5 (0.51) AOC3SIGMAR1
SCHEMBL10390463 0.81 KDM4E (0.80) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL1966445 0.81 L3MBTL1 (0.65) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL1966402 0.79 L3MBTL1 (0.70) ALDH1A1L3MBTL1KDM4ECYP1A2CYP3A4
SCHEMBL8080266 0.78 ALDH1A1 (0.55) ALDH1A1L3MBTL1KDM4EMEN1KMT2A
SCHEMBL1966589 0.78 SIGMAR1 (0.70) L3MBTL1HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL20968074 0.77 CYP1A2 (0.67) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL11673979 0.77 L3MBTL1 (0.60) ALDH1A1L3MBTL1CYP1A2CYP3A4MEN1

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 ALDH1A1 2292/4885L3MBTL1 3230/4885KDM4E 452/4885

“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.