SCHEMBL3030829

SCHEMBL3030829

CN(C)Cc1ccccc1-c1cccc(-n2c(=O)n([C@H]3CC[C@@H](NC(=O)O)CC3)c(=O)c3cc(F)cnc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.40
CYP2D6 P10635 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP2C19 P33261 1/20 0.37
METAP2 P50579 1/20 0.35
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
KLK1 P06870 1/20 0.33

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
SCHEMBL3030831 1.00 PDE4B (0.40) PDE4BCYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL3029000 0.93 PDE4B (0.48) PDE4BCYP3A4CYP2C19GRIN1GRIN2B
SCHEMBL3028996 0.93 PDE4B (0.48) PDE4BCYP3A4CYP2C19GRIN1GRIN2B
SCHEMBL3916330 0.92 PDE4B (0.34) PDE4BKDM4ETSHRPDE4APDE4C
SCHEMBL10272127 0.90 PDE4B (0.38) PDE4BCYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL3023413 0.89 GRIN2B (0.39) PDE4BKDM4ETSHRPDE4APDE4C
SCHEMBL3023409 0.89 GRIN2B (0.39) PDE4BKDM4ETSHRPDE4APDE4C
SCHEMBL871187 0.89 PDE4B (0.38) PDE4BCYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL871186 0.89 PDE4B (0.38) PDE4BCYP2D6CYP1A2CYP3A4KDM4E
SCHEMBL3029626 0.88 PDE4B (0.44) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-B1 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ALCON RES LTD (US) 2014-09-24 EP disclosed
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors ALCON RESEARCH, LTD. 2010-08-12 US disclosed
US-20090124596-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2009-05-14 US 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-20090124596-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885CYP2D6 462/4885CYP1A2 266/4885
US-20100204203-A1 Chemical Compounds 637: Pyridopyrimidinediones as PDE4 Inhibitors PDE4A, PDE4B, PDE5A PDE4B 2/4885CYP2D6 352/4885CYP1A2 274/4885

“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.