Sugi Predict

Sugi Predict / Compounds / SCHEMBL5004601

SCHEMBL5004601

SCHEMBL5004601

O=C1Nc2ccccc2C12CCCNC2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.82
▸ HTR2A P28223 6/20 0.55
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ OPRL1 P41146 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ PDK2 Q15119 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ HTR1A P08908 3/20 0.43
▸ HTR7 P34969 3/20 0.43
▸ HTR6 P50406 3/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL31596433 1.00 BACE1 (0.82) BACE1HTR2AOPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6639413 0.98 BACE1 (0.79) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL6636367 0.95 BACE1 (0.79) BACE1HTR2AOPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6638886 0.94 BACE1 (0.77) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL29655503 0.90 BACE1 (1.00) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL25756131 0.90 BACE1 (1.00) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL251170 0.90 BACE1 (1.00) BACE1HTR2AOPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL31368874 0.89 BACE1 (0.97) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL25316423 0.87 BACE1 (0.71) BACE1HTR2AOPRM1OPRK1OPRL1
SCHEMBL29609089 0.83 BACE1 (0.64) BACE1HTR2AOPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717488-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS Dart NeuroScience, LLC (US) 2020-10-07 — — EP claimed
CN-111655695-A Substituted furopyrimidines as PDE1 inhibitors 达特神经科学有限公司 2020-09-11 — — CN claimed
WO-2019104285-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2019-05-31 — — WO claimed
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. ASTRAZENECA AB 2004-05-06 — — US claimed
EP-1202994-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2004-04-14 — — EP claimed
EP-1202994-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-05-08 — — EP claimed
WO-2001005790-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2001-01-25 — — WO claimed
US-20250145633-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2025-05-08 — — US disclosed
US-12006325-B2 Substituted furanopyrimidine compounds as PDE1 inhibitors DART NEUROSCIENCE, LLC (US) 2024-06-11 — — US disclosed
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 — — US disclosed
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 — — US disclosed
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2023-09-21 — — US disclosed
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS DART NEUROSCIENCE LLC 2023-05-11 — — US disclosed
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES DING QINGJIE 2008-08-07 — — US disclosed
US-6774132-B1 Spirooxindole derivatives that act as analgesics ASTRAZENECA AB (SE) 2004-08-10 — — US disclosed
EP-1426375-A2 Analgesic spiroindole derivatives AstraZeneca AB (SE) 2004-06-09 — — EP disclosed
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. ASTRAZENECA AB 2004-05-06 — — US disclosed
EP-1202994-B1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2004-04-14 — — EP disclosed
EP-1202994-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-05-08 — — EP disclosed
WO-2001005790-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2001-01-25 — — 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 (6 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-12006325-B2 Substituted furanopyrimidine compounds as PDE1 inhibitors PDE4A, PDE5A, PDE3A BACE1 319/4885HTR2A 1202/4885OPRM1 3665/4885
US-20080188506-A1 SPIROINDOLINONE DERIVATIVES MKI67, MCL1, BAD BACE1 3974/4885HTR2A 2633/4885OPRM1 4316/4885
US-20250145633-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A BACE1 319/4885HTR2A 1202/4885OPRM1 3665/4885
US-20230295178-A1 SUBSTITUTED FURANOPYRIMIDINE COMPOUNDS AS PDE1 INHIBITORS PDE4A, PDE5A, PDE3A BACE1 319/4885HTR2A 1202/4885OPRM1 3665/4885
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS OPRL1, OPRK1, NOP56 BACE1 404/4885HTR2A 66/4885OPRM1 10/4885
US-20040087800-A1 Spirooxindole derivatives are analgesics for the treatment of chronic pain. OPRK1, OPRD1, OPRL1 BACE1 4822/4885HTR2A 1255/4885OPRM1 39/4885

“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.