SCHEMBL870830

SCHEMBL870830

CN(C)CCCn1c(=O)n([C@H]2CC[C@@H](NC(=O)c3cn4cc(F)ccc4n3)CC2)c(=O)c2cc(F)cnc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.45
CNR1 P21554 7/20 0.36
CNR2 P34972 6/20 0.36
GPR55 Q9Y2T6 1/20 0.35
HPGDS O60760 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL870831 1.00 PDE4B (0.45) PDE4BCNR1CNR2GPR55HPGDS
SCHEMBL869755 0.86 PDE4B (0.46) PDE4BCNR1CNR2POLB
SCHEMBL869754 0.86 PDE4B (0.46) PDE4BCNR1CNR2POLB
SCHEMBL871860 0.84 PDE4B (0.48) PDE4BCNR1CNR2GPR55HPGDS
SCHEMBL871859 0.84 PDE4B (0.48) PDE4BCNR1CNR2GPR55HPGDS
SCHEMBL3027671 0.83 GRIN1 (0.38) PDE4BCNR1CNR2
SCHEMBL3027672 0.83 GRIN1 (0.38) PDE4BCNR1CNR2
SCHEMBL872013 0.82 PDE4B (0.50) PDE4BCNR2HPGDS
SCHEMBL872014 0.82 PDE4B (0.50) PDE4BCNR2HPGDS
SCHEMBL4104192 0.82 PDE4B (0.60) PDE4BCNR1CNR2GPR55HPGDS

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 8 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-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
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 2/4885CNR1 2027/4885CNR2 2229/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CNR1 2027/4885CNR2 2229/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CNR1 3560/4885CNR2 3682/4885

“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.