SCHEMBL1965373

SCHEMBL1965373

COc1ccc(F)c(-c2nccnc2C(=O)N(CCc2c[nH]c3cc(F)c(F)cc23)CC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MTNR1A P48039 6/20 0.40
MTNR1B P49286 4/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR1A P08908 5/20 0.39
HTR6 P50406 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
HTR2B P41595 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR7 P34969 2/20 0.39
HTR4 Q13639 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTR1E P28566 1/20 0.39
HTR1F P30939 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
SCHEMBL1969556 0.94 KMT2A (0.40) KMT2AMTNR1AMTNR1BALDH1A1HTR1A
SCHEMBL1974095 0.93 KMT2A (0.43) KMT2AMTNR1AMTNR1BALDH1A1HTR1A
SCHEMBL1971969 0.92 CDK4 (0.46) KMT2AHTR1AHCRTR1HCRTR2CDK4
SCHEMBL1969456 0.87 HTR6 (0.41) KMT2AMTNR1AMTNR1BHTR1AHTR6
SCHEMBL1969305 0.84 TACR2 (0.39) MTNR1AMTNR1BHTR1ASLC6A4CDK4
SCHEMBL2403866 0.83 KMT2A (0.50) KMT2AMTNR1AMTNR1BALDH1A1HTR1A
SCHEMBL1969054 0.83 HTR1A (0.37) MTNR1AMTNR1BHTR1AHTR2BSLC6A4
SCHEMBL1971236 0.83 HTR1A (0.39) MTNR1AMTNR1BHTR1AHTR2ASLC6A4
SCHEMBL2409802 0.82 HTR6 (0.46) KMT2AMTNR1AMTNR1BHTR6HTR2A
SCHEMBL2409960 0.82 HTR1A (0.43) KMT2AMTNR1AMTNR1BALDH1A1HTR1A

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 4 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
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 253/4885MTNR1A 23/4885MTNR1B 22/4885

“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.