SCHEMBL249900

SCHEMBL249900

N#Cc1ccc(N2CCC(=O)CC2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
TRPV4 Q9HBA0 1/20 0.44
HSD11B1 P28845 2/20 0.44
AOC3 Q16853 1/20 0.43
PREP P48147 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
CRHR1 P34998 4/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
CCNA1 P78396 1/20 0.41
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
MAPT P10636 2/20 0.38
NOTUM Q6P988 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3532873 0.85 NOTUM (0.48) DPP4TRPV4HSD11B1AOC3PREP
SCHEMBL250177 0.84 NOTUM (0.47) DPP4TRPV4HSD11B1AOC3PREP
SCHEMBL20830204 0.82 DRD2 (0.49) DPP4TRPV4HSD11B1AOC3PREP
SCHEMBL250297 0.81 CCNA2 (0.56) DPP4TRPV4HSD11B1AOC3CCNA2
SCHEMBL249912 0.81 NOTUM (0.51) DPP4TRPV4HSD11B1ALDH1A1PDE3B
SCHEMBL1963730 0.81 DPP4 (0.56) DPP4TRPV4HSD11B1AOC3PREP
SCHEMBL1968214 0.80 PDE3B (0.46) DPP4TRPV4HSD11B1AOC3PREP
SCHEMBL14675703 0.80 DPP4 (0.50) DPP4TRPV4HSD11B1AOC3PREP
SCHEMBL248276 0.79 LMNA (0.52) DPP4HSD11B1AOC3PREPDPP8
SCHEMBL2326126 0.77 ALOX5 (0.46) DPP4TRPV4HSD11B1CRHR1ALDH1A1

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 DPP4 393/4885TRPV4 564/4885HSD11B1 294/4885

“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.