SCHEMBL250260

SCHEMBL250260

N#Cc1ccc(N2CC3CCC(C2)O3)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CHRM2 P08172 1/20 0.40
CHRM4 P08173 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
SLC6A9 P48067 8/20 0.38
SLC6A5 Q9Y345 2/20 0.38
TRPA1 O75762 1/20 0.38
USP30 Q70CQ3 2/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
KCNH2 Q12809 2/20 0.37
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HRH1 P35367 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
SCHEMBL250187 0.82 ALDH1A1 (0.50) DPP4DPP8DPP9DPP7CHRM2
SCHEMBL4635925 0.78 DPP4 (0.47) DPP4DPP8DPP9DPP7CHRM2
SCHEMBL21588366 0.77 CCR1 (0.36) SLC6A5USP30ALDH1A1
SCHEMBL29390773 0.77 ALDH1A1 (0.49) USP30ALDH1A1SMN1; SMN2
SCHEMBL18396772 0.77 ALDH1A1 (0.49) USP30ALDH1A1SMN1; SMN2
SCHEMBL18394541 0.75 NOTUM (0.39) DPP4IRAK4ALDH1A1SMN1; SMN2
SCHEMBL22570962 0.75 CHRM4 (0.47) CHRM4SLC6A9SLC6A5ADRA1DADRA1A
SCHEMBL22918667 0.74 HRH3 (0.48) IRAK4KCNH2
SCHEMBL22210151 0.74 DPP4 (0.45) DPP4DPP8DPP9DPP7CHRM2
SCHEMBL18642168 0.74 ALDH1A1 (0.46) CHRM4SLC6A9SLC6A5ADRA1DADRA1A

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 8 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
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 DPP4 393/4885DPP8 1008/4885DPP9 669/4885

“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.