SCHEMBL871727

SCHEMBL871727

N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCC(N6CCCCC6)CC5)cc4)c3)c2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.39
L3MBTL3 Q96JM7 3/20 0.37
MBTD1 Q05BQ5 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TP53BP1 Q12888 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
CCR5 P51681 4/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACVR1 Q04771 1/20 0.34
METAP2 P50579 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8181685 0.94 METAP2 (0.37) PDE4BL3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL870966 0.94 METAP2 (0.37) PDE4BL3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL870965 0.94 METAP2 (0.37) PDE4BL3MBTL3MBTD1L3MBTL1TP53BP1
SCHEMBL3023140 0.89 PDE4B (0.47) PDE4BDRD2DRD4DRD3AXL
SCHEMBL870187 0.88 PDE4B (0.41) PDE4BNPSR1TSHRCRHBPCRHR2
SCHEMBL871025 0.88 CHKA (0.41) AXLMERTK
SCHEMBL870188 0.88 PDE4B (0.41) PDE4BNPSR1TSHRCRHBPCRHR2
SCHEMBL872430 0.88 CHKA (0.41) AXLMERTK
SCHEMBL870887 0.87 VCP (0.37) DRD2DRD4DRD3NPSR1TSHR
SCHEMBL870886 0.87 VCP (0.37) DRD2DRD4DRD3NPSR1TSHR

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 12 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-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
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 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 (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 2/4885L3MBTL3 4808/4885MBTD1 4123/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885L3MBTL3 4808/4885MBTD1 4123/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885L3MBTL3 4793/4885MBTD1 2807/4885

“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.