SCHEMBL986944

SCHEMBL986944

COc1ccc(N(CCCl)C(=O)c2ccncc2)cc1OC1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.48
PDE4B Q07343 9/20 0.48
PDE4C Q08493 8/20 0.48
PDE4D Q08499 8/20 0.48
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45

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
SCHEMBL986306 0.91 PDE4B (0.47) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4407314 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4402865 0.84 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL8184840 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL985826 0.79 PDE4A (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL72993 0.76 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL7322708 0.76 PDE4B (0.60) PDE4APDE4BPDE4CPDE4DS1PR1
SCHEMBL4196640 0.75 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL4404445 0.74 PDE4A (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL17390131 0.73 PDE4A (0.49) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245038-B1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2018-11-07 EP disclosed
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-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-8410065-B2 Macrolides and their use BASILEA PHARMACEUTICA AG (CH) 2013-04-02 US disclosed
US-8173609-B2 Macrolides useful against inflammatory and allergic diseases BASILEA PHARMACEUTICA AG (CH) 2012-05-08 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 US disclosed
US-20110053876-A1 MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2011-03-03 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
EP-2245038-A1 NEW MACROLIDES AND THEIR USE Basilea Pharmaceutica AG (CH) 2010-11-03 EP disclosed
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 WO disclosed
WO-2009106419-A1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2009-09-03 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110053876-A1 MACROLIDES AND THEIR USE PDE4A, PDE12, PDE4B PDE4A 1/4885PDE4B 3/4885PDE4C 4/4885
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases HRH4, HRH2, IL4 PDE4A 1737/4885PDE4B 2041/4885PDE4C 2742/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4A 1873/4885PDE4B 2412/4885PDE4C 2718/4885

“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.