SCHEMBL253777

SCHEMBL253777

N#Cc1ccc(N2CCC3(CC2)OCCO3)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 8/20 0.45
SLC6A5 Q9Y345 2/20 0.45
LGMN Q99538 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AOC3 Q16853 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL249165 0.82 PDE3B (0.43) SLC6A9SLC6A5ADRA1DADRA1AADRA1B
SCHEMBL251355 0.81 SLC6A9 (0.45) SLC6A9SLC6A5ADRA1DADRA1AADRA1B
SCHEMBL14485084 0.81 NPC1 (0.52) LGMNADRA1DADRA1AADRA1BSLC6A2
SCHEMBL1239096 0.81 SLC6A9 (0.58) SLC6A9SLC6A5ADRA1DADRA1AADRA1B
SCHEMBL24880834 0.78 ALDH1A1 (0.46) LGMNNPC1RAB9AALDH1A1LMNA
SCHEMBL29931972 0.78 ATM (0.48) LGMNNPC1RAB9AALDH1A1LMNA
SCHEMBL31312959 0.78 ALDH1A1 (0.54) LGMNNPC1RAB9AALDH1A1LMNA
SCHEMBL27452092 0.78 SMN1; SMN2 (0.45) SLC6A5LGMNNPC1RAB9AALDH1A1
SCHEMBL17543165 0.78 ATM (0.48) LGMNNPC1RAB9AALDH1A1LMNA
SCHEMBL855383 0.78 ALDH1A1 (0.54) LGMNNPC1RAB9AALDH1A1LMNA

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 2310/4885SLC6A5 2104/4885LGMN 4660/4885

“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.