SCHEMBL714965

SCHEMBL714965

Cc1nc2c(n1Cc1ccccc1)C(=O)N(C)C1=NC3(CCCCC3)CN12

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 16/20 0.82
▸ PDE4A P27815 4/20 0.82
▸ PDE4B Q07343 4/20 0.82
▸ PDE4C Q08493 4/20 0.82
▸ PDE4D Q08499 4/20 0.82
▸ PDE2A O00408 1/20 0.72
▸ PDE1B Q01064 1/20 0.71
▸ P2RX7 Q99572 1/20 0.44
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42

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
SCHEMBL7448642 0.99 PDE5A (0.83) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715378 0.87 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL4551320 0.85 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL714733 0.83 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715363 0.82 PDE5A (0.82) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8798561 0.78 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194179 0.76 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8210864 0.75 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL714019 0.75 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10201626 0.75 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434895-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2012-04-04 — — EP claimed
US-20120053190-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC 2012-03-01 — — US claimed
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US claimed
WO-2010132127-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-11-18 — — WO claimed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US claimed
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders INTRA-CELLULAR THERAPIES, INC. (US) 2022-10-11 — — US disclosed
US-10238660-B2 Organic compounds INTRA-CELLULAR THERAPIES, INC. (US) 2019-03-26 — — US disclosed
US-20180280396-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2018-10-04 — — US disclosed
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-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-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — US disclosed
US-20100087450-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2010-04-08 — — US disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 — — US 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 (9 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 1/4885PDE4A 2/4885PDE4B 8/4885
US-20180280396-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE4A 2/4885PDE4B 8/4885
US-10010553-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE4A 2/4885PDE4B 8/4885
US-20160375028-A1 ORGANIC COMPOUNDS PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE4A 2/4885PDE4B 8/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE5A 2/4885PDE4A 8/4885PDE4B 9/4885
US-20110312978-A1 PDE1 INHIBITORS FOR OPHTHALMIC DISORDERS PDE12, PDE5A, PDE3A PDE5A 2/4885PDE4A 6/4885PDE4B 12/4885
US-20100323997-A1 NOVEL USES PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE4A 4/4885PDE4B 7/4885
US-10238660-B2 Organic compounds PDE5A, PDE4A, PDE3A PDE5A 1/4885PDE4A 2/4885PDE4B 8/4885
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders PDE12, PDE5A, PDE3A PDE5A 2/4885PDE4A 6/4885PDE4B 12/4885

“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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