SCHEMBL1933112

SCHEMBL1933112

CCOC(=O)c1cnc2c(ccn2COCC[Si](C)(C)C)c1NC1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.58
POLB P06746 1/20 0.49
ADORA1 P30542 3/20 0.46
JAK1 P23458 2/20 0.45
JAK3 P52333 2/20 0.45
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43

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
SCHEMBL14697275 0.89 PDE4B (0.44) PDE4B
SCHEMBL2315548 0.89 PDE4B (0.44) PDE4BADORA1ADORA2A
SCHEMBL2105789 0.89 PDE4B (0.46) PDE4BPOLBADORA1JAK1JAK3
SCHEMBL14697520 0.89 PDE4B (0.46) PDE4BJAK1JAK3
SCHEMBL10099172 0.87 PDE4B (0.52) PDE4BADORA1JAK1JAK3
SCHEMBL10099170 0.87 PDE4B (0.55) PDE4BADORA1JAK1JAK3ADORA2A
SCHEMBL22620101 0.86 JAK3 (0.49) PDE4BPOLBJAK1JAK3
SCHEMBL22620168 0.86 JAK3 (0.49) PDE4BPOLBJAK1JAK3
SCHEMBL24630843 0.86 PDE4B (0.42) PDE4B
SCHEMBL16477541 0.85 PDE4B (0.41) PDE4BJAK1JAK3

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
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 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 (2 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 PDE4B 3141/4885POLB 2384/4885ADORA1 1265/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PDE4B 3141/4885POLB 2384/4885ADORA1 1265/4885

“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.