SCHEMBL4498989

SCHEMBL4498989

O=C(NC1CCCCC1)N1CC(c2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.56
PDE1B Q01064 5/20 0.56
PDE1C Q14123 4/20 0.48
PDE5A O76074 2/20 0.48
PDE7A Q13946 2/20 0.48
PDE10A Q9Y233 2/20 0.48
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47

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
SCHEMBL4510908 1.00 PDE9A (0.56) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL13865856 0.98 PDE9A (0.54) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL13865809 0.93 PDE9A (0.54) PDE9APDE1BPDE1C
SCHEMBL13866033 0.92 PDE9A (0.49) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL4511443 0.90 PDE9A (0.49) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL13865737 0.89 PDE9A (0.54) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL13866037 0.88 PDE9A (0.52) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL4519539 0.88 PDE9A (0.47) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL4510198 0.87 PDE9A (0.56) PDE9APDE1BPDE1CPDE5APDE7A
SCHEMBL4507404 0.86 PDE9A (0.48) PDE9APDE1BPDE1CPDE5APDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US claimed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 WO claimed
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors INTRA-CELLULAR THERAPIES, INC. (US) 2021-11-09 US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 US disclosed
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods INTRA-CELLULAR THERAPIES, INC. (US) 2019-05-14 US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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 (5 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-20160038494-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE9A 40/4885PDE1B 22/4885PDE1C 14/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE9A 29/4885PDE1B 17/4885PDE1C 15/4885
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885PDE1B 95/4885PDE1C 190/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE9A 40/4885PDE1B 22/4885PDE1C 14/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE9A 34/4885PDE1B 21/4885PDE1C 19/4885

“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.