SCHEMBL985987

SCHEMBL985987

COc1ccc(NC(=O)c2cccnc2)cc1OC1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.63
PDE4A P27815 7/20 0.63
PDE4B Q07343 7/20 0.63
PDE4C Q08493 7/20 0.63
PDE5A O76074 1/20 0.61
PDE1A P54750 1/20 0.61
PDE1B Q01064 1/20 0.61
PDE1C Q14123 1/20 0.61
POLB P06746 2/20 0.60
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL7334115 0.87 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL987058 0.87 POLB (0.65) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7423277 0.87 PDE4D (0.78) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL8197050 0.84 PDE4D (0.82) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL28873490 0.83 ALDH1A1 (0.59) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL6586713 0.82 PDE4D (0.59) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL145065 0.81 PDE4A (0.51) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL8185285 0.81 SMN1; SMN2 (0.74) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL7688579 0.81 POLB (0.57) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL145758 0.80 PDE5A (0.49) PDE4DPDE4APDE4BPDE4CPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247294-B1 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION BASILEA PHARMACEUTICA AG (CH) 2014-03-26 EP disclosed
EP-2049556-B1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISEASES BASILEA PHARMACEUTICA AG (CH) 2013-07-03 EP disclosed
US-8445451-B2 Macrolides and uses of macrolides BASILEA PHARMACEUTICA AG (CH) 2013-05-21 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2011-01-27 US disclosed
EP-2247294-A2 MACROLIDES FOR TREATING DISEASES MEDIATED THROUGH PDE INHIBITION Basilea Pharmaceutica AG (CH) 2010-11-10 EP disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US disclosed
WO-2009098320-A2 MACROLIDES AND USES OF MACROLIDES BASILEA PHARMACEUTICA AG (CH) 2009-08-13 WO disclosed
EP-2049556-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES Basilea Pharmaceutica AG (CH) 2009-04-22 EP disclosed
WO-2008017696-A1 NEW MACROLIDES USEFUL AGAINST INFLAMMATORY AND ALLERGIC DISSEASES BASILEA PHARMACEUTICA AG (CH) 2008-02-14 WO disclosed
US-6096747-A Phenylaminocarbonyl derivatives and processes for their preparation CELLTECH THERAPEUTICS LIMITED (GB) 2000-08-01 US disclosed
EP-0607373-B1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH THERAPEUTICS LTD (GB) 1997-03-19 EP disclosed
US-5550137-A Phenylaminocarbonyl derivatives CELLTECH THERAPEUTICS LIMITED (GB) 1996-08-27 US disclosed
EP-0607373-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS. CELLTECH LTD (GB) 1994-07-27 EP disclosed
WO-1993025517-A1 TRISUBSTITUTED PHENYL DERIVATIVES AS SELECTIVE PHOSPHODIESTERASE IV INHIBITORS CELLTECH LIMITED (GB) 1993-12-23 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-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 PDE4D 3611/4885PDE4A 1737/4885PDE4B 2041/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4D 2679/4885PDE4A 1873/4885PDE4B 2412/4885

“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.