SCHEMBL1970281

SCHEMBL1970281

COc1ccc2c(CCNCC3CC3)c[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.63
MTNR1B P49286 3/20 0.63
HTR2A P28223 6/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
HTR6 P50406 1/20 0.56
MAPT P10636 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.51
CYP1A1 P04798 1/20 0.51
MPO P05164 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1A P08908 1/20 0.51
CYP2D6 P10635 1/20 0.51
NQO2 P16083 1/20 0.51
HTR2B P41595 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
SCHEMBL10119675 0.93 MTNR1A (0.58) MTNR1AMTNR1BHTR2AKMT2AMEN1
SCHEMBL1968662 0.90 HTR2A (0.71) MTNR1AMTNR1BHTR2AKMT2AMEN1
SCHEMBL11935204 0.85 HTR2A (0.64) MTNR1AMTNR1BHTR2AKMT2AMEN1
SCHEMBL1971950 0.84 HTR2A (0.56) MTNR1AMTNR1BHTR2AKMT2AMEN1
SCHEMBL15482246 0.81 MTNR1A (0.46) MTNR1AMTNR1BHTR2AKMT2AMEN1
SCHEMBL2405163 0.81 GPR84 (0.54) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL1969257 0.81 HTR6 (0.62) MTNR1AMTNR1BHTR2AHTR6MPO
SCHEMBL9559254 0.81 MTNR1A (0.70) MTNR1AMTNR1BHTR2AKMT2AMEN1
SCHEMBL12352511 0.80 HTR2A (0.79) MTNR1AMTNR1BHTR2AKMT2AMEN1
SCHEMBL9531245 0.80 MTNR1A (0.62) MTNR1AMTNR1BHTR2AKMT2AMEN1

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

“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.