SCHEMBL6417347

SCHEMBL6417347

COc1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
PDE4D Q08499 6/20 0.56
PDE4A P27815 5/20 0.56
PDE4B Q07343 5/20 0.56
PDE4C Q08493 5/20 0.56
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.52
GLA P06280 1/20 0.52
GAA P10253 1/20 0.52
PDE5A O76074 1/20 0.50
PDE1A P54750 1/20 0.50
PDE1B Q01064 1/20 0.50
PDE1C Q14123 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL7808590 0.80 PDE4B (0.55) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL8189434 0.78 MEN1 (0.67) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL7423277 0.77 PDE4D (0.78) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL21663533 0.77 POLB (0.68) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL2097509 0.76 PDE4B (0.56) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL21851954 0.76 NPSR1 (0.71) POLBNPSR1MEN1KMT2AALDH1A1
SCHEMBL29623507 0.75 PDE4B (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL28450908 0.75 PDE4B (0.52) PDE4DPDE4APDE4BPDE4C
SCHEMBL8197050 0.74 PDE4D (0.82) POLBPDE4DPDE4APDE4BPDE4C
SCHEMBL8748848 0.74 PDE4D (0.67) POLBPDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US claimed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP claimed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO claimed
EP-1587512-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA Pharma AG (DE) 2005-10-26 EP claimed
US-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist NYCOMED GMBH (DE) 2005-05-26 US claimed
WO-2004062671-A2 PDE4 INHIBITORS FOR THE TREATMENT OF NEOPLASMS OF LYMPHOID CELLS ALTANA PHARMA AG (DE) 2004-07-29 WO claimed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP disclosed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO disclosed
EP-1429843-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA Pharma AG (DE) 2004-06-23 EP disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 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-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA POLB 17/4885PDE4D 1307/4885PDE4A 1173/4885
US-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist HRH4, PDE4A, PDE4B POLB 3020/4885PDE4D 9/4885PDE4A 2/4885

“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.