SCHEMBL983832

SCHEMBL983832

CCOC(=O)c1cnc2c(cnn2CC)c1NCCCl

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.82
PDE5A O76074 1/20 0.82
MAPT P10636 2/20 0.67
MEN1 O00255 1/20 0.67
HPGD P15428 1/20 0.67
BLM P54132 1/20 0.67
PMP22 Q01453 1/20 0.67
KMT2A Q03164 1/20 0.67
ADORA1 P30542 3/20 0.62
ALDH1A1 P00352 1/20 0.60
CYP1A2 P05177 1/20 0.59

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
Cartazolate SCHEMBL123839 0.90 PDE4B (1.00) PDE4BPDE5AMAPTMEN1HPGD
SCHEMBL6289439 0.86 PDE4B (0.73) PDE4BPDE5AMAPTMEN1HPGD
SCHEMBL987741 0.86 PDE4B (0.60) PDE4BPDE5AMAPTMEN1HPGD
SCHEMBL2457683 0.85 PDE4B (0.72) PDE4BPDE5AMAPTMEN1HPGD
SCHEMBL4811745 0.83 PDE4B (0.69) PDE4BPDE5AMAPTMEN1HPGD
SCHEMBL9838278 0.81 PDE4B (0.84) PDE4BPDE5AMAPTMEN1HPGD
SCHEMBL4820250 0.81 PDE4B (0.73) PDE4BPDE5AMAPTMEN1HPGD
SCHEMBL582697 0.81 PDE4B (0.92) PDE4BPDE5AMAPTMEN1HPGD
SCHEMBL4816464 0.81 PDE4B (0.73) PDE4BPDE5AMAPTMEN1HPGD
Etazolate SCHEMBL16703320 0.81 MEN1 (0.98) PDE4BPDE5AMAPTMEN1HPGD

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 8 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
US-20100120706-A1 Macrolides Useful Against Inflammatory and Allergic Diseases BASILEA PHARMACEUTICA AG (CH) 2010-05-13 US 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 (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 PDE4B 2041/4885PDE5A 4135/4885MAPT 4860/4885
US-20110021449-A1 MACROLIDES AND USES OF MACROLIDES MRPS22, MRPS23, MRPL12 PDE4B 2412/4885PDE5A 3491/4885MAPT 4802/4885

“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.