SCHEMBL1973753

SCHEMBL1973753

Fc1cccc2[nH]cc(CCNCC3CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.57
FFAR1 O14842 1/20 0.54
GPR84 Q9NQS5 1/20 0.54
HTR2C P28335 2/20 0.52
HTR2B P41595 1/20 0.52
BCHE P06276 1/20 0.43
ALKBH5 Q6P6C2 1/20 0.43
FTO Q9C0B1 1/20 0.43
HTR6 P50406 4/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
MC5R P33032 1/20 0.40
MC3R P41968 1/20 0.40
MC1R Q01726 1/20 0.40
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL25030359 0.81 HTR2A (0.63) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL1969255 0.79 MPO (0.57) HTR2AGPR84BCHEALKBH5FTO
SCHEMBL26996490 0.79 HTR2A (0.66) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL1968351 0.78 BCHE (0.67) HTR2ABCHEMTNR1AMC5RMC3R
SCHEMBL23805256 0.77 HTR2A (0.59) HTR2ABCHEHTR6MTNR1AMTNR1B
SCHEMBL2402869 0.76 GPR84 (0.51) GPR84HTR2BBCHEHTR6MTNR1A
SCHEMBL1966782 0.75 MPO (0.57)
SCHEMBL15767915 0.75 HTR2A (0.73) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL26202196 0.75 MTNR1A (0.69) HTR2AFFAR1GPR84HTR2CHTR2B
SCHEMBL1969257 0.74 HTR6 (0.62) HTR2AGPR84HTR2CBCHEHTR6

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 46/4885FFAR1 287/4885GPR84 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.