SCHEMBL714733

SCHEMBL714733

CN1C(=O)c2c(nc(Cc3ccc(-c4ccccc4)cc3)n2Cc2ccccc2)N2CC3(CCCC3)N=C12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 1.00
▸ PDE4A P27815 5/20 1.00
▸ PDE4B Q07343 5/20 1.00
▸ PDE4C Q08493 5/20 1.00
▸ PDE4D Q08499 5/20 1.00
▸ PDE1B Q01064 1/20 1.00
▸ PDE2A O00408 1/20 0.66
▸ P2RX7 Q99572 1/20 0.46

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
SCHEMBL715378 0.95 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715363 0.90 PDE5A (0.82) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7883021 0.89 PDE5A (0.81) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8210864 0.84 PDE5A (0.79) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7448642 0.84 PDE5A (0.83) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL714965 0.83 PDE5A (0.82) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL20841521 0.78 PDE5A (0.63) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715472 0.76 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL233809 0.76 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL18840666 0.76 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 52 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-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
EP-3479825-B1 PDE1 INHIBITORS FOR USE IN THE TREATMENT AND/OR PREVENTION OF CNS OR PNS DISEASES OR DISORDERS INTRA CELLULAR THERAPIES INC (US) 2021-02-17 — — EP disclosed
US-20200375994-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2020-12-03 — — US disclosed
US-10682355-B2 Uses INTRA-CELLULAR THERAPIES, INC. (US) 2020-06-16 — — US disclosed
US-20190275046-A1 NOVEL COMBINATION INTRA-CELLULAR THERAPIES, INC. (US) 2019-09-12 — — US disclosed
US-20190192519-A1 NOVEL USES INTRA-CELLULAR THERAPIES, INC. (US) 2019-06-27 — — 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
EP-3479825-A1 PDE1 INHIBITORS FOR USE IN THE TREATMENT AND/OR PREVENTION OF CNS OR PNS DISEASES OR DISORDERS Intra-Cellular Therapies, Inc. (US) 2019-05-08 — — EP 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
US-20100323997-A1 NOVEL USES INTRACELLULAR THERAPIES, INC. (US) 2010-12-23 — — 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
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

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-10682355-B2 Uses CNTN1, BDNF, SMPD1 PDE5A 14/4885PDE4A 44/4885PDE4B 62/4885
US-20190192519-A1 NOVEL USES BDNF, CNTN1, DCX PDE5A 28/4885PDE4A 27/4885PDE4B 29/4885
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-20200375994-A1 NOVEL USES BDNF, CNTN1, DCX PDE5A 28/4885PDE4A 27/4885PDE4B 29/4885
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-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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