SCHEMBL870896

SCHEMBL870896

CCN(CC)Cc1ccc(-c2cccc(-n3c(=O)n([C@H]4CC[C@@H](NC(=O)C5(N(C)C)CC5)CC4)c(=O)c4cc(F)cnc43)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.36
PDE4D Q08499 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
CNR2 P34972 3/20 0.34
AVPR1B P47901 1/20 0.34
DYRK1A Q13627 1/20 0.33
HTR2C P28335 1/20 0.32
MCHR1 Q99705 1/20 0.32
AOC3 Q16853 1/20 0.32
USP7 Q93009 1/20 0.32
SLC2A1 P11166 1/20 0.32
CNR1 P21554 1/20 0.31
TNF P01375 1/20 0.31
LITAF Q99732 1/20 0.31

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
SCHEMBL3029452 1.00 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL3016778 0.91 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL3016783 0.91 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL870928 0.91 PDE4B (0.34) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL870927 0.91 PDE4B (0.34) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL869990 0.91 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL3027532 0.91 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL16087013 0.91 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL869991 0.91 PDE4B (0.36) PDE4BPDE4DPDE4APDE4CCNR2
SCHEMBL870468 0.90 PDE4B (0.37) PDE4BCNR2AVPR1BMCHR1

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-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
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-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-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 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
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 2/4885PDE4D 11/4885PDE4A 1/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4D 11/4885PDE4A 1/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885PDE4D 10/4885PDE4A 1/4885

“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.