SCHEMBL249582

SCHEMBL249582

COC1(C)CCN(c2ccc(C#N)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 15/20 0.45
KCNH2 Q12809 5/20 0.41
SLC6A5 Q9Y345 2/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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) SLC6A9KCNH2SLC6A5ADRA1DADRA1A
SCHEMBL249165 0.81 PDE3B (0.43) SLC6A9KCNH2SLC6A5ADRA1DADRA1A
SCHEMBL6679416 0.77 ALDH1A1 (0.57) SLC6A9KCNH2SLC6A5ADRA1DADRA1A
SCHEMBL253777 0.77 SLC6A9 (0.45) SLC6A9KCNH2SLC6A5ADRA1DADRA1A
SCHEMBL15117102 0.76 SLC6A9 (0.57) SLC6A9SLC6A5ADRA1DADRA1AADRA1B
SCHEMBL10233016 0.76 MAPT (0.35) ALDH1A1L3MBTL1FFAR4
SCHEMBL10232951 0.76 PDE3B (0.34) ALDH1A1L3MBTL1
SCHEMBL29380294 0.75 ALDH1A1 (0.57) SLC6A9SLC6A5ADRA1DADRA1AADRA1B
SCHEMBL232086 0.75 ALDH1A1 (0.57) SLC6A9SLC6A5ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL250120 0.75 MAPT (0.34) ALDH1A1L3MBTL1FFAR4

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 SLC6A9 2310/4885KCNH2 280/4885SLC6A5 2104/4885

“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.