SCHEMBL1997797

SCHEMBL1997797

CCn1nc(C(=O)OC2CCCCC2)c(C(C)=O)c(N)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL1999530 0.96 MAPK1 (0.40) GAAMAPK1ALDH1A1MAPTHTT
SCHEMBL1996540 0.80 POLB (0.36) GAAMAPK1ALDH1A1MAPTHTT
SCHEMBL1998326 0.76 CSF1R (0.40) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL1997065 0.75 TP53 (0.37) GAAMAPK1ALDH1A1MAPTHTT
SCHEMBL1997926 0.74 PDE9A (0.36) GAAMAPK1ALDH1A1MAPTLMNA
SCHEMBL1994031 0.73 MAPT (0.48) GAAMAPK1ALDH1A1MAPTHTT
SCHEMBL1997021 0.72 MAPK1 (0.41) GAAMAPK1ALDH1A1MAPTHTT
SCHEMBL1995068 0.71 MAPT (0.48) MAPK1ALDH1A1MAPTHTTLMNA
SCHEMBL1994341 0.70 MAPT (0.46) MAPK1ALDH1A1MAPTADRA1DADRA1A
SCHEMBL1995589 0.69 MAPK1 (0.41) GAAMAPK1ALDH1A1MAPTHTT

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-7960383-B2 phosphodiesterase enzyme inhibitor; 4-[(3-chlorophenyl)amino]-2-ethyl-5-(1-hydroxyethyl)-6-phenylpyridazin-3(2H)-one; potent antiinflammatory agent; asthma, atopic dermatitis, psoriasis, chronic obstructive pulmonary disease, rheumatoid arthritis, irritable bowel disease LABORATORIOS ALMIRALL SA (ES) 2011-06-14 US disclosed
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors ALMIRALL PRODESFARMA, SA (ES) 2008-11-13 US disclosed
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 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 (1 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-20080280918-A1 Pyridazin-3(2H)-One Derivatives and Their Use as Pde4 Inhibitors PDE12, PDE4A, PDE4B GAA 1381/4885MAPK1 1255/4885ALDH1A1 457/4885

“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.