SCHEMBL871543

SCHEMBL871543

O=C(NC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCCOCC5)cc4)c3)c2=O)CC1)c1ccc(OCCN2CCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.47
BMPR1B O00238 1/20 0.40
BMPR1A P36894 1/20 0.40
TGFBR1 P36897 1/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
SRC P12931 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC2A1 P11166 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PPARG P37231 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CNR2 P34972 5/20 0.39
CNR1 P21554 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 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
SCHEMBL871542 1.00 PDE4B (0.47) PDE4BBMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL3018341 0.87 PDE4B (0.49) PDE4BKDM4ECNR2CNR1
SCHEMBL3018346 0.87 PDE4B (0.49) PDE4BKDM4ECNR2CNR1
SCHEMBL872016 0.86 PDE4B (0.47) PDE4BCNR2CNR1
SCHEMBL10271898 0.85 PDE4B (0.47) PDE4BCNR2CNR1
SCHEMBL870303 0.84 PDE4B (0.50) PDE4BCNR2CNR1
SCHEMBL3016896 0.84 PDE4B (0.50) PDE4BCNR2CNR1
SCHEMBL870188 0.83 PDE4B (0.41) PDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL870187 0.83 PDE4B (0.41) PDE4BNPC1RAB9ASMN1; SMN2
SCHEMBL871953 0.83 PDE4B (0.51) PDE4BCNR2CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 US disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US 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 (3 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885BMPR1B 2391/4885BMPR1A 2671/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885BMPR1B 2391/4885BMPR1A 2671/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885BMPR1B 1909/4885BMPR1A 2221/4885

“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.