SCHEMBL6674585

SCHEMBL6674585

CCN1C(=O)c2c(nc(Br)n2Cc2cc(Cl)c3c(c2)CCO3)N2C[C@@H](Cc3ccccc3)N=C12

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.70
▸ PDE6D O43924 1/20 0.70
▸ PDE6A P16499 1/20 0.70
▸ PDE6G P18545 1/20 0.70
▸ PDE4A P27815 1/20 0.70
▸ PDE6B P35913 1/20 0.70
▸ PDE6C P51160 1/20 0.70
▸ PDE4B Q07343 1/20 0.70
▸ PDE4C Q08493 1/20 0.70
▸ PDE4D Q08499 1/20 0.70
▸ PDE6H Q13956 1/20 0.70
▸ PDE11A Q9HCR9 1/20 0.70
▸ PDE10A Q9Y233 1/20 0.70

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
SCHEMBL6674583 1.00 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8213224 0.94 PDE5A (0.69) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8363058 0.92 PDE5A (0.70) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL16312837 0.91 PDE5A (0.60) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL16312832 0.90 PDE5A (0.69) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL13409588 0.90 PDE5A (0.75) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6628079 0.89 PDE5A (0.77) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6628075 0.89 PDE5A (0.77) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL10201517 0.87 PDE5A (0.67) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8361742 0.87 PDE5A (0.68) 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 25 patents — showing the first 20. 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-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — US disclosed
US-20160038494-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. 2016-02-11 — — 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-9006258-B2 Method of treating female sexual dysfunction with a PDE1 inhibitor INTRA-CELLULAR THERAPIES, INC. (US) 2015-04-14 — — US disclosed
US-9006258-B2 Method of treating female sexual dysfunction with a PDE1 inhibitor INTRA-CELLULAR THERAPIES, INC. (US) 2015-04-14 — — US disclosed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US disclosed
WO-2010098839-A1 PDE 1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. (US) 2010-09-02 — — WO 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
WO-2008070095-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2008-06-12 — — WO disclosed
WO-2008063505-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2008-05-29 — — WO disclosed
EP-1790652-A1 Polycyclic guanine phosphodiesterase V inhibitors Schering Corporation (US) 2007-05-30 — — EP disclosed
EP-1421084-A1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS Schering Corporation (US) 2004-05-26 — — EP disclosed
WO-2003020724-A1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORPORATION (US) 2003-03-13 — — WO 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 (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 PDE5A 1/4885PDE6D 126/4885PDE6A 46/4885
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
US-20100323997-A1 NOVEL USES PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6D 40/4885PDE6A 21/4885

“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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