SCHEMBL250868

SCHEMBL250868

NCc1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
NOTUM Q6P988 3/20 0.51
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
CYP2C9 P11712 1/20 0.43
NCF1 P14598 1/20 0.43
AKR1C3 P42330 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3C2B O00750 1/20 0.42
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL12142079 0.85 NOTUM (0.51) ALDH1A1KDM4ELMNANOTUMPDE3B
SCHEMBL5017452 0.85 NOTUM (0.47) ALDH1A1NOTUMPDE3BPDE3AGAA
SCHEMBL250634 0.85 NOTUM (0.47) ALDH1A1NOTUMPDE3BPDE3AGAA
SCHEMBL250808 0.83 NOTUM (0.49) ALDH1A1KDM4ELMNANOTUMPDE3B
SCHEMBL249613 0.83 NOTUM (0.49) ALDH1A1KDM4ELMNANOTUMPDE3B
SCHEMBL251465 0.82 ASIC3 (0.49) ALDH1A1KDM4EPDE3BPDE3ANCF1
SCHEMBL1929073 0.80 MAPT (0.61) ALDH1A1KDM4ELMNANOTUMPDE3B
SCHEMBL31210319 0.80 MAPT (0.61) ALDH1A1KDM4ELMNANOTUMPDE3B
SCHEMBL1239414 0.80 NPC1 (0.50) ALDH1A1KDM4ELMNAPDE3BPDE3A
SCHEMBL27298480 0.78 KDM4E (0.56) ALDH1A1KDM4ELMNANCF1SMN1; SMN2

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
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-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
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

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 ALDH1A1 468/4885KDM4E 3377/4885LMNA 4429/4885

“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.