SCHEMBL249165

SCHEMBL249165

N#Cc1ccc(N2CCC(F)(F)CC2)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
SLC6A9 P48067 10/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KCNH2 Q12809 4/20 0.42
SLC6A5 Q9Y345 2/20 0.42
AOC3 Q16853 2/20 0.40
LRRK2 Q5S007 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
IRAK4 Q9NWZ3 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
SCHEMBL251355 0.86 SLC6A9 (0.45) SLC6A9ADRA1DADRA1AADRA1BKCNH2
SCHEMBL23850722 0.83 LRRK2 (0.41) SLC6A9KCNH2LRRK2ALDH1A1L3MBTL1
SCHEMBL31587963 0.83 LRRK2 (0.41) SLC6A9KCNH2LRRK2ALDH1A1L3MBTL1
SCHEMBL253777 0.82 SLC6A9 (0.45) SLC6A9ADRA1DADRA1AADRA1BKCNH2
SCHEMBL15117102 0.82 SLC6A9 (0.57) SLC6A9ADRA1DADRA1AADRA1BSLC6A5
SCHEMBL249582 0.81 SLC6A9 (0.45) SLC6A9ADRA1DADRA1AADRA1BKCNH2
SCHEMBL232086 0.81 ALDH1A1 (0.57) SLC6A9ADRA1DADRA1AADRA1BSLC6A5
SCHEMBL29380294 0.81 ALDH1A1 (0.57) SLC6A9ADRA1DADRA1AADRA1BSLC6A5
SCHEMBL1968214 0.81 PDE3B (0.46) PDE3BPDE3ASLC6A9KCNH2AOC3
SCHEMBL8415671 0.79 SLC6A9 (0.46) SLC6A9ADRA1DADRA1AADRA1BKCNH2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 PDE3B 4/4885PDE3A 6/4885SLC6A9 2310/4885

“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.