SCHEMBL193870

SCHEMBL193870

CCC(C)[C@H]1CN2C(=N1)N(C)C(=O)c1c2nc(C)n1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 15/20 0.56
▸ PDE4A P27815 3/20 0.46
▸ PDE4B Q07343 2/20 0.46
▸ PDE4C Q08493 2/20 0.46
▸ PDE4D Q08499 2/20 0.46
▸ P2RX7 Q99572 3/20 0.46
▸ PDE6D O43924 1/20 0.43
▸ PDE6A P16499 1/20 0.43
▸ PDE6G P18545 1/20 0.43
▸ PDE6B P35913 1/20 0.43
▸ PDE6C P51160 1/20 0.43
▸ PDE6H Q13956 1/20 0.43
▸ PDE11A Q9HCR9 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.43

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
SCHEMBL7545376 1.00 PDE5A (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL232826 0.91 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194126 0.91 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194125 0.91 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL716866 0.84 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7438566 0.84 PDE5A (0.59) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194179 0.84 PDE5A (0.64) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL714019 0.84 PDE5A (0.62) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715367 0.82 PDE5A (0.61) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL194127 0.82 PDE5A (0.61) 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 37 patents — showing the first 20. 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
EP-2081431-A1 ORGANIC COMPOUNDS Intra-Cellular Therapies, Inc. (US) 2009-07-29 — — EP claimed
WO-2008063505-A1 ORGANIC COMPOUNDS INTRA-CELLULAR THERAPIES, INC. (US) 2008-05-29 — — WO claimed
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 — — EP claimed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 — — WO claimed
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
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-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 — — EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 — — US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 — — EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 — — 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 (8 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-10285992-B2 Combinations of PDE1 inhibitors and NEP inhibitors and associated methods PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE4A 8/4885PDE4B 22/4885
US-20100087450-A1 ORGANIC COMPOUNDS PDE3A, PDE5A, PDE2A PDE5A 2/4885PDE4A 8/4885PDE4B 9/4885
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-20190275046-A1 NOVEL COMBINATION PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE4A 9/4885PDE4B 24/4885
US-11464781-B2 PDE1 inhibitors for ophthalmic disorders PDE12, PDE5A, PDE3A PDE5A 2/4885PDE4A 6/4885PDE4B 12/4885
US-11166956-B2 Combinations of PDE1 inhibitors and NEP inhibitors PDE5A, ECE1, PDE3A PDE5A 1/4885PDE4A 10/4885PDE4B 25/4885

“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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