SCHEMBL4886574

SCHEMBL4886574

Cc1ccc(C(=O)N[C@H]2CC[C@@H](NC(=O)c3cc(F)cnc3OC3CCSCC3)CC2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.56
PDE4D Q08499 2/20 0.56
PDE4A P27815 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
KCNH2 Q12809 1/20 0.38
TYK2 P29597 1/20 0.38
CRHR1 P34998 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL435172 1.00 PDE4B (0.56) PDE4BPDE4DPDE4ATAS1R3TAS1R1
SCHEMBL5546898 0.91 PDE4B (0.47) PDE4BPDE4DPDE4ATAS1R3TAS1R1
SCHEMBL5552570 0.89 PDE4B (0.48) PDE4BPDE4DPDE4ATAS1R3TAS1R1
SCHEMBL8303245 0.88 PDE4B (0.50) PDE4BPDE4DPDE4ATYK2NPC1
SCHEMBL13929105 0.88 PDE4B (0.50) PDE4BPDE4DPDE4ATYK2NPC1
SCHEMBL4182884 0.88 PDE4B (0.50) PDE4BPDE4DPDE4ATYK2NPC1
SCHEMBL5547933 0.87 PDE4B (0.55) PDE4BPDE4DPDE4AKCNH2CRHR1
SCHEMBL4191409 0.86 PDE4B (0.50) PDE4BPDE4DPDE4ATAS1R3TAS1R1
SCHEMBL4191242 0.85 PDE4B (0.49) PDE4BPDE4DPDE4ATAS1R3TAS1R1
SCHEMBL8302740 0.85 PDE4B (0.46) PDE4BPDE4DPDE4ATYK2CRHR1

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-20080194635-A1 Crystalline Forms of Cis-5-Fluoro-N-[4-(2-Hydroxy-4-Methylbenzamido) Cyclohexyl]-2-(Tetrahydrothiopyran-4-Yloxy) Nicotinamide PFIZER INC. (US) 2008-08-14 US claimed
EP-1844040-A1 CRYSTALLINE FORMS OF CIS-5-FLUORO-N-[4-(2-HYDROXY-4-METHYLBENZAMIDO)CYCLOHEXYL]-2-(TETRAHYDROTHIOPYRAN-4-YLOXY)NICOTINAMIDE Pfizer Limited (GB) 2007-10-17 EP claimed
WO-2006077497-A1 CRYSTALLINE FORMS CIS-5-FLUORO-N-[4-(2-HYDROXY-4-METHYLBENZAMIDO) CYCLOHEXYL]-2-(TETRAHYDROTHIOPYRAN-A-YLOXY) NICOTINAMIDE PFIZER LIMITED (GB) 2006-07-27 WO claimed
EP-1683795-A1 Crystalline forms of cis-5-fluoro-N-¬4-(2-hydroxy-4-methylbenzamido)cyclohexyl|-2-(tetrahydrothiopyran-4-yloxy)nicotinamide Pfizer Limited (GB) 2006-07-26 EP claimed
US-20080194635-A1 Crystalline Forms of Cis-5-Fluoro-N-[4-(2-Hydroxy-4-Methylbenzamido) Cyclohexyl]-2-(Tetrahydrothiopyran-4-Yloxy) Nicotinamide PFIZER INC. (US) 2008-08-14 US disclosed
US-20080194635-A1 Crystalline Forms of Cis-5-Fluoro-N-[4-(2-Hydroxy-4-Methylbenzamido) Cyclohexyl]-2-(Tetrahydrothiopyran-4-Yloxy) Nicotinamide PFIZER INC. (US) 2008-08-14 US disclosed
US-20080194635-A1 Crystalline Forms of Cis-5-Fluoro-N-[4-(2-Hydroxy-4-Methylbenzamido) Cyclohexyl]-2-(Tetrahydrothiopyran-4-Yloxy) Nicotinamide PFIZER INC. (US) 2008-08-14 US disclosed
US-20080194635-A1 Crystalline Forms of Cis-5-Fluoro-N-[4-(2-Hydroxy-4-Methylbenzamido) Cyclohexyl]-2-(Tetrahydrothiopyran-4-Yloxy) Nicotinamide PFIZER INC. (US) 2008-08-14 US disclosed
EP-1844040-A1 CRYSTALLINE FORMS OF CIS-5-FLUORO-N-[4-(2-HYDROXY-4-METHYLBENZAMIDO)CYCLOHEXYL]-2-(TETRAHYDROTHIOPYRAN-4-YLOXY)NICOTINAMIDE Pfizer Limited (GB) 2007-10-17 EP disclosed
JP-2006199700-A CRYSTAL FORM PFIZER LTD 2006-08-03 JP disclosed
EP-1683795-A1 Crystalline forms of cis-5-fluoro-N-¬4-(2-hydroxy-4-methylbenzamido)cyclohexyl|-2-(tetrahydrothiopyran-4-yloxy)nicotinamide Pfizer Limited (GB) 2006-07-26 EP disclosed
EP-1683795-A1 Crystalline forms of cis-5-fluoro-N-¬4-(2-hydroxy-4-methylbenzamido)cyclohexyl|-2-(tetrahydrothiopyran-4-yloxy)nicotinamide Pfizer Limited (GB) 2006-07-26 EP 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-20080194635-A1 Crystalline Forms of Cis-5-Fluoro-N-[4-(2-Hydroxy-4-Methylbenzamido) Cyclohexyl]-2-(Tetrahydrothiopyran-4-Yloxy) Nicotinamide SIRT5, NAMPT, SIRT4 PDE4B 1081/4885PDE4D 1288/4885PDE4A 1355/4885

“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.