SCHEMBL4131908

SCHEMBL4131908

CCOc1nc(N(c2ccc(C#N)cc2)C2CCNCC2)ccc1OC

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.37
NR3C1 P04150 2/20 0.37
PGR P06401 2/20 0.37
AR P10275 2/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
KDR P35968 1/20 0.37
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 6/20 0.36
SLC6A3 Q01959 3/20 0.36
KDM1A O60341 7/20 0.35
HTR3A P46098 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP19A1 P11511 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
IKBKB O14920 1/20 0.32
MAOB P27338 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
SCHEMBL4136073 0.83 SLC6A4 (0.35) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4140937 0.83 MAPK1 (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL8246543 0.83 FGFR1 (0.37) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4139398 0.82 FGFR1 (0.37) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL4134857 0.78 SLC6A2 (0.39) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL2902564 0.72 SLC6A2 (0.41) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL3973450 0.71 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3KDM1AKCNH2
SCHEMBL4145437 0.70 FFAR4 (0.38) SLC6A2SLC6A4SLC6A3KCNH2IKBKB
SCHEMBL4147343 0.69 TACR1 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL15577732 0.69 ALDH1A1 (0.46) TDP1

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-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US claimed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP claimed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 WO claimed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B NR3C2 1125/4885NR3C1 2003/4885PGR 2703/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B NR3C2 1125/4885NR3C1 2003/4885PGR 2703/4885

“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.