SCHEMBL1932207

SCHEMBL1932207

CCn1ccc2c(NC3CCCCC3)c(C(=O)O)cnc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.53
PDE4D Q08499 6/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL2315548 0.83 PDE4B (0.44) PDE4BPDE4D
SCHEMBL20956117 0.82 JAK3 (0.57) PDE4B
SCHEMBL20956114 0.82 JAK3 (0.57) PDE4B
SCHEMBL583156 0.81 PDE4B (0.77) PDE4BPDE4D
SCHEMBL583135 0.80 PDE4B (0.77) PDE4BPDE4D
SCHEMBL28596329 0.77 PDE4B (0.44) PDE4B
SCHEMBL14697275 0.75 PDE4B (0.44) PDE4B
SCHEMBL28596327 0.75 FABP4 (0.44) PDE4BPDE4D
SCHEMBL583313 0.74 PDE4B (0.70) PDE4B
SCHEMBL1933112 0.74 PDE4B (0.58) PDE4BPOLB

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 5 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-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
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 3141/4885PDE4D 3416/4885POLB 2384/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 PDE4B 3141/4885PDE4D 3416/4885POLB 2384/4885

“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.