SCHEMBL1968419

SCHEMBL1968419

Cc1cc(-c2nccnc2C(=O)N(CCc2c[nH]c3cc(F)c(Cl)cc23)CC2CC2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.35
TACR2 P21452 2/20 0.35
ICMT O60725 1/20 0.34
SLC6A4 P31645 5/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MELK Q14680 4/20 0.32
GRIN2B Q13224 2/20 0.32
GSK3B P49841 1/20 0.32
MAPK14 Q16539 1/20 0.32
F2 P00734 1/20 0.31

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
SCHEMBL1969054 0.94 HTR1A (0.37) HTR1ATACR2SLC6A4MTNR1AMTNR1B
SCHEMBL1969631 0.91 HTR1A (0.37) HTR1ATACR2ICMTSLC6A4
SCHEMBL1976906 0.89 HTR1A (0.46) HTR1ASLC6A4MTNR1AMTNR1B
SCHEMBL1971560 0.88 TACR2 (0.46) TACR2PDE10A
SCHEMBL1971434 0.88 HCRTR1 (0.34) HTR1ATACR2SLC6A4MTNR1AMTNR1B
SCHEMBL1976003 0.87 TACR2 (0.37) HTR1ATACR2SLC6A4
SCHEMBL1973734 0.86 TACR2 (0.35) HTR1ATACR2ICMTGRIN2B
SCHEMBL2405431 0.85 SLC6A4 (0.39) TACR2SLC6A4MTNR1AMTNR1BF2
SCHEMBL1969556 0.84 KMT2A (0.40) HTR1ATACR2SLC6A4MTNR1AMTNR1B
SCHEMBL1971236 0.84 HTR1A (0.39) HTR1ATACR2SLC6A4MTNR1AMTNR1B

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
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP 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

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 HTR1A 56/4885TACR2 90/4885ICMT 4648/4885

“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.