SCHEMBL3018346

SCHEMBL3018346

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.49
AVPR1B P47901 3/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
ADRB2 P07550 1/20 0.38
KCNH2 Q12809 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL3018341 1.00 PDE4B (0.49) PDE4BAVPR1BCNR1CNR2ADRB2
SCHEMBL872016 0.93 PDE4B (0.47) PDE4BAVPR1BCNR1CNR2ADRB2
SCHEMBL10271898 0.91 PDE4B (0.47) PDE4BCNR1CNR2KCNH2PDE4D
SCHEMBL3029961 0.90 PDE4B (0.43) PDE4BAVPR1BCNR1CNR2ADRB2
SCHEMBL3029957 0.90 PDE4B (0.43) PDE4BAVPR1BCNR1CNR2ADRB2
SCHEMBL3030807 0.89 AVPR1B (0.41) PDE4BAVPR1BADRB2
SCHEMBL3030814 0.89 AVPR1B (0.41) PDE4BAVPR1BADRB2
SCHEMBL870187 0.89 PDE4B (0.41) PDE4BKCNH2
SCHEMBL870188 0.89 PDE4B (0.41) PDE4BKCNH2
SCHEMBL3023140 0.89 PDE4B (0.47) PDE4BAVPR1BADRB2

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 3 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-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 (2 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-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885AVPR1B 1234/4885CNR1 2027/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885AVPR1B 1852/4885CNR1 3560/4885

“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.