SCHEMBL1968662

SCHEMBL1968662

COc1ccc2[nH]cc(CCNCC3CC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 11/20 0.71
MTNR1A P48039 4/20 0.67
MTNR1B P49286 3/20 0.67
ALDH1A1 P00352 2/20 0.67
CYP2D6 P10635 2/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 1/20 0.63
CYP1A1 P04798 1/20 0.63
MPO P05164 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
HTR1A P08908 1/20 0.63
HPGD P15428 1/20 0.63
NQO2 P16083 1/20 0.63
HTR2B P41595 1/20 0.63
RAB9A P51151 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
CYP1B1 Q16678 1/20 0.63

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
SCHEMBL11935204 0.94 HTR2A (0.64) HTR2AMTNR1AMTNR1BALDH1A1CYP2D6
SCHEMBL1970281 0.90 MTNR1A (0.63) HTR2AMTNR1AMTNR1BALDH1A1CYP2D6
SCHEMBL13565027 0.84 MTNR1A (0.55) HTR2AMTNR1AMTNR1BALDH1A1CYP2D6
SCHEMBL10119675 0.84 MTNR1A (0.58) HTR2AMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL1976170 0.84 MTNR1A (0.61) HTR2AMTNR1AMTNR1BALDH1A1CYP2D6
SCHEMBL4859324 0.83 KDM4E (0.65) HTR2AMTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL24451304 0.83 HTR2A (1.00) HTR2AMTNR1AMTNR1BALDH1A1CYP2D6
SCHEMBL30183412 0.83 HTR2A (1.00) HTR2AMTNR1AMTNR1BALDH1A1CYP2D6
SCHEMBL9019785 0.82 HTR2A (0.82) HTR2AMTNR1AMTNR1BALDH1A1CYP2D6
SCHEMBL15482215 0.81 HTR2A (0.53) HTR2AMTNR1AMTNR1BALDH1A1HTR1A

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 3 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
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 HTR2A 46/4885MTNR1A 23/4885MTNR1B 22/4885

“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.