SCHEMBL1969255

SCHEMBL1969255

Fc1cccc2c(CCNCC3CC3)c[nH]c12

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.57
SLC6A4 P31645 5/20 0.57
GPR84 Q9NQS5 1/20 0.54
BCHE P06276 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
FTO Q9C0B1 1/20 0.43
RIPK1 Q13546 1/20 0.42
PCSK9 Q8NBP7 1/20 0.41
HTR1A P08908 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
HTR6 P50406 1/20 0.40
RAB9A P51151 1/20 0.40
HTR2A P28223 1/20 0.40

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) BCHEFTOPCSK9HTR1AMTNR1A
SCHEMBL1969123 0.81 MTNR1A (0.63) SLC6A4BCHEFTOHTR1AMTNR1A
SCHEMBL29206522 0.80 MPO (0.61) MPOSLC6A4GPR84RIPK1PCSK9
SCHEMBL30877812 0.80 MPO (0.61) MPOSLC6A4GPR84RIPK1PCSK9
SCHEMBL1973753 0.79 HTR2A (0.57) GPR84BCHEALKBH5FTOHTR1A
SCHEMBL1968351 0.78 BCHE (0.67) SLC6A4BCHEHTR1AMTNR1AHTR2A
SCHEMBL1120483 0.77 GPR84 (0.68) MPOSLC6A4GPR84RIPK1PCSK9
SCHEMBL29206457 0.77 MPO (0.58) MPOSLC6A4GPR84ALKBH5FTO
SCHEMBL2402869 0.76 GPR84 (0.51) MPOSLC6A4GPR84BCHEHTR1A
SCHEMBL1966782 0.75 MPO (0.57) MPOSLC6A4

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 MPO 3915/4885SLC6A4 781/4885GPR84 73/4885

“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.