SCHEMBL1967129

SCHEMBL1967129

Cc1cc(F)cc(-c2nccnc2C(=O)N(CCc2c[nH]c3cc(F)c(F)cc23)CC2CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
TACR2 P21452 2/20 0.35
HTR1A P08908 7/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PDE10A Q9Y233 1/20 0.33
SLC6A4 P31645 6/20 0.32
CDK4 P11802 3/20 0.31
CCND1 P24385 3/20 0.31
MPO P05164 2/20 0.31
GPR84 Q9NQS5 1/20 0.31
HTR2B P41595 1/20 0.30

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
SCHEMBL1971434 0.94 HCRTR1 (0.34) HCRTR1HCRTR2TACR2HTR1AMTNR1A
SCHEMBL1971052 0.91 MPO (0.42) HTR1AMTNR1AMTNR1BSLC6A4MPO
SCHEMBL1974842 0.90 TACR2 (0.46) HCRTR1HCRTR2TACR2PDE10ACDK4
SCHEMBL1971236 0.88 HTR1A (0.39) TACR2HTR1AMTNR1AMTNR1BSLC6A4
SCHEMBL1969054 0.87 HTR1A (0.37) TACR2HTR1AMTNR1AMTNR1BPDE10A
SCHEMBL2403134 0.83 MPO (0.43) HTR1AMTNR1AMTNR1BSLC6A4MPO
SCHEMBL1971436 0.83 HTR6 (0.41) HCRTR1HCRTR2TACR2HTR1AMTNR1A
SCHEMBL1972310 0.83 HTR1A (0.36) HCRTR1HCRTR2TACR2HTR1APDE10A
SCHEMBL1969305 0.83 TACR2 (0.39) TACR2HTR1AMTNR1AMTNR1BSLC6A4
SCHEMBL2406200 0.83 HCRTR2 (0.45) HCRTR2TACR2HTR1AMTNR1AMTNR1B

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 HCRTR1 2/4885HCRTR2 1/4885TACR2 90/4885

“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.