SCHEMBL10271670

SCHEMBL10271670

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OGFRL1 Q5TC84 3/20 0.40
OPRK1 P41145 2/20 0.40
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
AKT1 P31749 1/20 0.38
ACVR1 Q04771 1/20 0.38
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
TP53 P04637 1/20 0.37
JAK1 P23458 1/20 0.36
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TNF P01375 1/20 0.35
LITAF Q99732 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ATM Q13315 1/20 0.34
PDE4A P27815 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
SCHEMBL8185505 1.00 PDE4B (0.46) PDE4BOPRM1OPRD1OGFRL1OPRK1
SCHEMBL10271617 0.95 PDE4B (0.41) PDE4BOPRM1OPRD1OGFRL1OPRK1
SCHEMBL3023140 0.90 PDE4B (0.47) PDE4BACVR1AXLMERTKTP53
SCHEMBL10272053 0.90 PARP1 (0.38) PDE4BPARP1PARP2AKT1AXL
SCHEMBL8193271 0.90 PARP1 (0.38) PDE4BPARP1PARP2AKT1AXL
SCHEMBL10271898 0.90 PDE4B (0.47) PDE4BPARP1PARP2AKT1TP53
SCHEMBL10271668 0.89 PARP1 (0.39) PDE4BPARP1PARP2AKT1ACVR1
SCHEMBL8168986 0.89 PARP1 (0.39) PDE4BPARP1PARP2AKT1ACVR1
SCHEMBL8179028 0.88 PDE4B (0.48) PDE4BPARP1PARP2JAK1PDE4D
SCHEMBL871460 0.87 PDE4B (0.51) PDE4BACVR1AXLMERTK

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 6 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-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 2/4885OPRM1 3138/4885OPRD1 1892/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885OPRM1 3138/4885OPRD1 1892/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885OPRM1 4682/4885OPRD1 3538/4885

“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.