Sugi Predict

Sugi Predict / Compounds / SCHEMBL3579211

SCHEMBL3579211

SCHEMBL3579211

O=C(O)N1CC[C@@H]2CNC[C@@H]21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.38
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ CHRNB2 P17787 11/20 0.37
▸ CHRNB4 P30926 11/20 0.37
▸ CHRNA3 P32297 11/20 0.37
▸ CHRNA4 P43681 11/20 0.37
▸ CHRNA7 P36544 9/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SLC8A1 P32418 1/20 0.32
▸ DPP4 P27487 2/20 0.32

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
SCHEMBL3582591 1.00 PARP1 (0.38) PARP1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL1033901 1.00 PARP1 (0.38) PARP1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL29264141 0.89 NPC1 (0.36) PARP1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL652904 0.89 NPC1 (0.36) PARP1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL652905 0.89 NPC1 (0.36) PARP1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL652903 0.89 NPC1 (0.36) PARP1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL20136819 0.85 SLC6A1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20744262 0.85 SLC6A1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20744258 0.85 SLC6A1 (0.36) HTR2CCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1470518 0.85 SLC6A1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150362-A1 Substituted Pyrrolotriazines MOLECURE S.A. (PL) 2024-05-09 — — US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO disclosed
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF MOLECURE S.A. (PL) 2023-07-13 — — US disclosed
CN-109415371-B 2-amido thiazole derivative and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2021-07-09 — — CN disclosed
US-20190315771-A1 NOVEL 2-ACYLAMINOTHIAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2019-10-17 — — US disclosed
EP-3511332-A1 NOVEL 2-ACYLAMINOTHIAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2019-07-17 — — EP disclosed
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS SCHRIMPF MICHAEL R (US) 2012-08-16 — — US disclosed
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2010-01-21 — — US disclosed
US-7598236-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2009-10-06 — — US disclosed
US-20080275048-A1 Substituted Diazabicycloalkane Derivates ABBOTT LABORATORIES (US) 2008-11-06 — — US disclosed
US-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS ABBOTT LABORATORIES (US) 2008-04-24 — — US disclosed
US-7319106-B2 Diazabicyclic central nervous system active agents ABBOTT LABORATORIES (US) 2008-01-15 — — US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 — — US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 — — US disclosed
US-20020019388-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2002-02-14 — — 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-20080097094-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 PARP1 4244/4885HTR2A 1259/4885HTR2C 940/4885
US-20240150362-A1 Substituted Pyrrolotriazines USP7, UBA7, USP5 PARP1 1067/4885HTR2A 4135/4885HTR2C 3513/4885
US-20120208820-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 PARP1 4244/4885HTR2A 1259/4885HTR2C 940/4885
US-20020019388-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 PARP1 4042/4885HTR2A 1346/4885HTR2C 969/4885
US-20190315771-A1 NOVEL 2-ACYLAMINOTHIAZOLE DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF TEK, MPL, THPO PARP1 2632/4885HTR2A 2001/4885HTR2C 1195/4885
US-20080275048-A1 Substituted Diazabicycloalkane Derivates CHRNA7, CHRNA1, CHRNA2 PARP1 1111/4885HTR2A 150/4885HTR2C 106/4885
US-20100016277-A1 DIAZABICYCLIC CENTRAL NERVOUS SYSTEM ACTIVE AGENTS GAP43, GABRE, CHRNA6 PARP1 4244/4885HTR2A 1259/4885HTR2C 940/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 PARP1 4042/4885HTR2A 1346/4885HTR2C 969/4885
US-20230219973-A1 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF USP7, USP28, USP1 PARP1 1236/4885HTR2A 4581/4885HTR2C 4235/4885

“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.