SCHEMBL1969123

SCHEMBL1969123

COc1cccc2c(CCNCC3CC3)c[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.63
MTNR1B P49286 2/20 0.63
HTR2A P28223 3/20 0.59
HTR6 P50406 1/20 0.56
GAA P10253 1/20 0.48
FTO Q9C0B1 1/20 0.46
ADRB3 P13945 5/20 0.46
HTR1A P08908 2/20 0.44
KMT2A Q03164 2/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRB1 P08588 3/20 0.42
ADRB2 P07550 2/20 0.42
SLC6A4 P31645 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL1971767 0.84 HTR2A (0.56) MTNR1AMTNR1BHTR2AFTOADRB3
SCHEMBL1969255 0.81 MPO (0.57) MTNR1AMTNR1BHTR2AHTR6FTO
SCHEMBL27085142 0.78 MTNR1A (1.00) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL30630329 0.78 MTNR1A (1.00) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL1965743 0.77 MPO (0.60) MTNR1AMTNR1BHTR2AGAAKMT2A
SCHEMBL11301389 0.76 HTR2A (0.44) MTNR1AMTNR1BHTR2AHTR1AKMT2A
SCHEMBL1968351 0.75 BCHE (0.67) MTNR1AHTR2AHTR1AKMT2ALMNA
SCHEMBL1424902 0.74 HTR2A (1.00) MTNR1AMTNR1BHTR2AHTR6HTR1A
SCHEMBL5947535 0.74 KMT2A (0.64) MTNR1AMTNR1BHTR2AHTR6GAA
SCHEMBL1969126 0.74 HTR6 (0.72) MTNR1AMTNR1BHTR2AHTR6FTO

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.