SCHEMBL8360081

SCHEMBL8360081

CCN1C(=O)c2c(nc(C#Cc3ccccc3)n2Cc2ccc(O)c(Cl)c2)N2C[C@@H](Cc3ccccc3)N=C12

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.83
▸ PDE6D O43924 1/20 0.62
▸ PDE6A P16499 1/20 0.62
▸ PDE6G P18545 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ PDE6B P35913 1/20 0.62
▸ PDE6C P51160 1/20 0.62
▸ PDE4B Q07343 1/20 0.62
▸ PDE4C Q08493 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ PDE6H Q13956 1/20 0.62
▸ PDE11A Q9HCR9 1/20 0.62
▸ PDE10A Q9Y233 1/20 0.62

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
SCHEMBL8363069 0.89 PDE5A (0.84) PDE5A
SCHEMBL8362524 0.87 PDE5A (0.82) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6630610 0.86 PDE5A (0.78) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6630608 0.86 PDE5A (0.78) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8358716 0.86 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8360075 0.85 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8358719 0.85 PDE5A (0.91) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8358727 0.85 PDE5A (0.77) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8361919 0.84 PDE5A (0.84) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8360078 0.84 PDE5A (0.75) PDE5APDE6DPDE6APDE6GPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — US disclosed
US-20160375028-A1 ORGANIC COMPOUNDS FIENBERG ALLEN A (US) 2016-12-29 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-9468637-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2016-10-18 — — US disclosed
US-9198924-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-12-01 — — US disclosed
US-9198924-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2015-12-01 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
EP-1790652-A1 Polycyclic guanine phosphodiesterase V inhibitors Schering Corporation (US) 2007-05-30 — — EP disclosed
WO-2003020724-A1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORPORATION (US) 2003-03-13 — — 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-20120053190-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE6D 117/4885PDE6A 14/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE6D 117/4885PDE6A 14/4885
US-20160375028-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE6D 117/4885PDE6A 14/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE5A 2/4885PDE6D 76/4885PDE6A 42/4885

“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.

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