Sugi Predict

Sugi Predict / Compounds / SCHEMBL1033901

SCHEMBL1033901

SCHEMBL1033901

O=C(O)N1CCC2CNCC21

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
SCHEMBL3579211 1.00 PARP1 (0.38) PARP1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL3582591 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304577-A1 TYK2 INHIBITORS BIOGEN MA INC. 2025-10-02 — — US disclosed
WO-2024042494-A1 SUBSTITUTED PYRROLOTRIAZINES MOLECURE SA (PL) 2024-02-29 — — WO disclosed
CN-105085525-B Isoquinolin sulfonyl derivative as RHO kinase inhibitor 南京明德新药研发股份有限公司 2019-01-04 — — CN disclosed
EP-3091008-B1 KINASE INHIBITOR AND USE THEREOF XUANZHU PHARMA CO LTD (CN) 2018-06-27 — — EP disclosed
US-9949976-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2018-04-24 — — US disclosed
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2018-01-04 — — US disclosed
US-9796701-B2 Kinase inhibitor and use thereof Xuanzhu Pharma Co., Ltd. (CN) 2017-10-24 — — US disclosed
US-20160332989-A1 Kinase Inhibitor And Use Thereof Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2016-11-17 — — US disclosed
EP-3091008-A1 KINASE INHIBITOR AND USE THEREOF Xuanzhu Pharma Co., Ltd. (CN) 2016-11-09 — — EP disclosed
EP-2773351-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-09-10 — — EP disclosed
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 — — US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 — — US disclosed
WO-2013066718-A2 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-10 — — WO disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 — — US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 — — US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 — — EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 — — WO disclosed
WO-2008041090-A1 MALANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONIST PYRIDINONES PFIZER LIMITED (GB) 2008-04-10 — — WO disclosed
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones PFIZER INC 2008-04-10 — — 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 (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-20250304577-A1 TYK2 INHIBITORS TYK2, JAK2, JAK1 PARP1 1537/4885HTR2A 2144/4885HTR2C 1621/4885
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 PARP1 4339/4885HTR2A 4561/4885HTR2C 4059/4885
US-20080085884-A1 Melanin Concentrating Hormone Receptor-1 Antagonist Pyridinones MCHR1, MCHR2, MC1R PARP1 4391/4885HTR2A 76/4885HTR2C 106/4885
US-20160332989-A1 Kinase Inhibitor And Use Thereof CDK4, CDK6, CDK3 PARP1 1102/4885HTR2A 4637/4885HTR2C 4287/4885
US-20180000819-A1 KINASE INHIBITOR AND USE THEREOF CDK4, CDK6, CDK3 PARP1 1102/4885HTR2A 4637/4885HTR2C 4287/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 PARP1 4284/4885HTR2A 4118/4885HTR2C 3860/4885

“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.