SCHEMBL248593

SCHEMBL248593

O=C(O)NCc1ccc(N2CCC(O)CC2)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
TRPV1 Q8NER1 5/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
SERPINE1 P05121 2/20 0.42
TSHR P16473 1/20 0.41
EPHX2 P34913 1/20 0.41
P2RX7 Q99572 6/20 0.41
ALK Q9UM73 2/20 0.40
RET P07949 1/20 0.40
ROS1 P08922 1/20 0.40
FLT3 P36888 1/20 0.40
EML4 Q9HC35 1/20 0.40

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
SCHEMBL10232997 0.85 TRPV1 (0.42) PDE3BPDE3ATRPV1KMT2AMEN1
SCHEMBL250792 0.84 TRPV1 (0.46) PDE3BPDE3ATRPV1KMT2AMEN1
SCHEMBL1663796 0.77 TTR (0.54) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL619224 0.77 TRPV1 (0.43) TRPV1KMT2ATSHRFLT3
SCHEMBL1750143 0.74 RBP4 (0.45) MAPT
SCHEMBL23648364 0.74 PDE3B (0.49) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL26099526 0.72 RBP4 (0.45) TRPV1EPHX2P2RX7
SCHEMBL10232981 0.72 TRPV1 (0.52) TRPV1
SCHEMBL23648678 0.72 PDE3B (0.50) PDE3BPDE3AKMT2AMEN1ALDH1A1
SCHEMBL10232975 0.71 NAMPT (0.44) PDE3BPDE3ATRPV1KMT2ASERPINE1

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 5 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-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 PDE3B 4/4885PDE3A 6/4885TRPV1 248/4885

“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.