SCHEMBL871760

SCHEMBL871760

CC(C)N1CCN(Cc2ccc(-c3cccc(-n4c(=O)n([C@H]5CC[C@@H](NC(=O)C6(N(C)C)CC6)CC5)c(=O)c5cc(F)cnc54)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.38
PDE4B Q07343 10/20 0.36
HDAC1 Q13547 3/20 0.36
VCP P55072 1/20 0.35
CNR2 P34972 2/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
TNIK Q9UKE5 1/20 0.33
AVPR1B P47901 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
SCHEMBL3023086 1.00 ACVR1 (0.38) ACVR1PDE4BHDAC1VCPCNR2
SCHEMBL870468 0.93 PDE4B (0.37) PDE4BHDAC1CNR2CYP3A4TNIK
SCHEMBL3023064 0.93 PDE4B (0.37) PDE4BHDAC1CNR2CYP3A4TNIK
SCHEMBL871058 0.92 PDE4B (0.39) PDE4BCNR2CYP3A4AVPR1B
SCHEMBL3029859 0.92 PDE4B (0.39) PDE4BCNR2CYP3A4AVPR1B
SCHEMBL871970 0.92 PDE4B (0.37) PDE4BCNR2CYP3A4TNIKAVPR1B
SCHEMBL4235029 0.92 PDE4B (0.37) PDE4BCNR2CYP3A4TNIKAVPR1B
SCHEMBL871091 0.92 PDE4B (0.37) PDE4BCNR2CYP3A4TNIKAVPR1B
SCHEMBL3026679 0.92 PDE4B (0.37) PDE4BCNR2CYP3A4TNIKAVPR1B
SCHEMBL3030799 0.92 PDE4B (0.40) PDE4BCNR2CYP3A4AVPR1B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACVR1 1110/4885PDE4B 2/4885HDAC1 596/4885
US-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B ACVR1 1110/4885PDE4B 2/4885HDAC1 596/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A ACVR1 551/4885PDE4B 2/4885HDAC1 526/4885

“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.