SCHEMBL1974095

SCHEMBL1974095

COc1ccc(F)c(-c2nccnc2C(=O)N(CCc2c[nH]c3ccc(F)cc23)CC2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
HTR1A P08908 10/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HTR1F P30939 1/20 0.41
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HTR3A P46098 1/20 0.41
HTR5A P47898 1/20 0.41

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
SCHEMBL1965373 0.93 KMT2A (0.42) KMT2AHTR1AMTNR1AMTNR1BALDH1A1
SCHEMBL1971969 0.92 CDK4 (0.46) KMT2AHTR1AMAPTGPR84
SCHEMBL1969556 0.90 KMT2A (0.40) KMT2AHTR1AMTNR1AMTNR1BALDH1A1
SCHEMBL2409960 0.89 HTR1A (0.43) KMT2AHTR1AMTNR1AMTNR1BALDH1A1
SCHEMBL1969456 0.87 HTR6 (0.41) KMT2AHTR1AMTNR1AMTNR1BHTR2A
SCHEMBL1972598 0.85 HTR1A (0.44) HTR1AMTNR1AMTNR1BHTR1DHTR1B
SCHEMBL1976906 0.85 HTR1A (0.46) HTR1AMTNR1AMTNR1BHTR2ASLC6A4
SCHEMBL2403866 0.84 KMT2A (0.50) KMT2AHTR1AMTNR1AMTNR1BALDH1A1
SCHEMBL2403134 0.83 MPO (0.43) HTR1AMTNR1AMTNR1BHTR2ASLC6A4
SCHEMBL2405988 0.83 HTR1A (0.43) HTR1AHTR2AHTR7SLC6A4MPO

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 6 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 claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
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 KMT2A 253/4885HTR1A 56/4885MTNR1A 23/4885

“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.