SCHEMBL6063449

SCHEMBL6063449

Oc1cccc(OC2CCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
KCNH2 Q12809 1/20 0.51
POLB P06746 1/20 0.50
CHRNB4 P30926 6/20 0.46
CHRNA3 P32297 6/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 2/20 0.45
KAT6A Q92794 2/20 0.44
CHRM3 P20309 2/20 0.43
PARP10 Q53GL7 1/20 0.43
CYP3A4 P08684 2/20 0.43
PDK2 Q15119 1/20 0.42
CA12 O43570 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2385609 0.96 POLB (0.54) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL2387108 0.94 POLB (0.57) OPRM1OPRK1KCNH2POLBCHRNB4
Water SCHEMBL27641336 0.94 POLB (0.53) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL16902846 0.93 OPRM1 (0.52) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL16902847 0.92 OPRM1 (0.54) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL9986991 0.92 OPRM1 (0.54) OPRM1OPRK1KCNH2POLBCHRNB4
Resorcinol SCHEMBL5982627 0.88 POLB (0.48) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL13806374 0.84 HRH1 (0.62) OPRM1OPRK1KCNH2POLBCHRNB4
SCHEMBL12760850 0.84 OPRM1 (0.48) OPRM1OPRK1KCNH2POLBCHRNB4
3-Hydroxybenzaldehyde SCHEMBL6559274 0.83 POLB (0.47) OPRM1OPRK1KCNH2POLBKAT6A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011158149-A1 2-(3,5-DISUBSTITUTEDPHENYL)PYRIMIDIN-4(3H)-ONE DERIVATIVES PFIZER INC. (US) 2011-12-22 WO disclosed
US-7060717-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-13 US disclosed
US-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2006-01-19 US disclosed
US-6949573-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2005-09-27 US disclosed
EP-1476158-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2004-11-17 EP disclosed
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2004-11-11 US disclosed
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases PFIZER INC. 2003-11-27 US disclosed
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2003-11-27 US disclosed
EP-1363876-A1 GLUCOCORTICOID RECEPTOR MODULATORS Abbott Laboratories (US) 2003-11-26 EP disclosed
WO-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2002064550-A1 GLUCOCORTICOID RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2002-08-22 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 (4 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-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C OPRM1 4770/4885OPRK1 3998/4885KCNH2 3287/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 OPRM1 2501/4885OPRK1 763/4885KCNH2 743/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C OPRM1 4770/4885OPRK1 3998/4885KCNH2 3287/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C OPRM1 4770/4885OPRK1 3998/4885KCNH2 3287/4885

“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.