SCHEMBL6681700

SCHEMBL6681700

CCN1C(=O)c2c(nc(NC3CCOCC3)n2Cc2ccc(OC)c(Cl)c2)N2CCN=C12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 19/20 0.51
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE1C Q14123 1/20 0.40

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
SCHEMBL6626317 0.96 PDE5A (0.52) PDE5A
SCHEMBL8210189 0.94 PDE5A (0.56) PDE5A
SCHEMBL8216613 0.93 PDE5A (0.57) PDE5A
SCHEMBL8363356 0.93 PDE5A (0.51) PDE5A
SCHEMBL8217539 0.93 PDE5A (0.48) PDE5A
SCHEMBL10201602 0.92 PDE5A (0.43) PDE5A
SCHEMBL8212990 0.92 PDE5A (0.51) PDE5A
SCHEMBL10201520 0.91 DPP4 (0.40) PDE5A
SCHEMBL8363057 0.90 PDE5A (0.56) PDE5A
SCHEMBL8361734 0.90 PDE5A (0.56) PDE5A

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-11 — — US disclosed
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-10238660-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2019-03-26 — — US disclosed
US-10010553-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2018-07-03 — — 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-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-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. 2011-12-22 — — US disclosed
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS INTRA-CELLULAR THERAPIES, INC. 2011-12-22 — — 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
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-1421084-B1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORP (US) 2008-05-14 — — 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

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

For each of this compound's patents that has machine-readable text (10 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 1/4885PDE1A 13/4885PDE1B 22/4885
US-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE1A 10/4885PDE1B 17/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE1A 24/4885PDE1B 27/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE5A 2/4885PDE1A 38/4885PDE1B 37/4885
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS PDE12, PDE5A, PDE3A PDE5A 2/4885PDE1A 21/4885PDE1B 22/4885
US-20100323997-A1 NOVEL USES PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE1A 12/4885PDE1B 13/4885
US-10238660-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE1A 24/4885PDE1B 27/4885
US-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE1A 13/4885PDE1B 22/4885
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders PDE12, PDE5A, PDE3A PDE5A 2/4885PDE1A 21/4885PDE1B 22/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE5A 1/4885PDE1A 13/4885PDE1B 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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