SCHEMBL927784

SCHEMBL927784

CC(C)(C)N(CC1CCNCC1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 3/20 0.39
GABRB2 P47870 3/20 0.39
SLC6A1 P30531 2/20 0.39
SLC6A12 P48065 2/20 0.39
SLC6A11 P48066 2/20 0.39
SLC6A13 Q9NSD5 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRR1 P24046 1/20 0.39
CPN1 P15169 2/20 0.38
CPB2 Q96IY4 2/20 0.38
TSHR P16473 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRE P78334 1/20 0.36

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
SCHEMBL3613801 0.90 SLC6A1 (0.49) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL222367 0.90 SLC6A1 (0.49) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL222368 0.90 SLC6A1 (0.49) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL16292529 0.87 ALOX5 (0.39)
SCHEMBL343584 0.85 ALOX5 (0.35)
SCHEMBL343583 0.85 ALOX5 (0.35)
SCHEMBL345654 0.84 GABRA5 (0.38) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL27776378 0.83 ALOX5 (0.39) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL1222696 0.81 SLC6A2 (0.36) GABRA5GABRB2SLC6A1SLC6A12SLC6A11
SCHEMBL27166484 0.81 ITGB3 (0.41) GABRA5GABRB2SLC6A1SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250019387-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORPORATION 2025-01-16 US disclosed
CN-117043151-A Pyrimidine or pyridine derivative and medical application thereof 希格生科(深圳)有限公司 2023-11-10 CN disclosed
WO-2023109751-A1 PYRIMIDINE OR PYRIDINE DERIVATIVE AND MEDICINAL USE THEREOF 希格生科(深圳)有限公司 2023-06-22 WO disclosed
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
EP-3026049-B1 METHOD FOR PREPARING BENZAMIDE DERIVATIVE, NOVEL INTERMEDIATE USED IN PREPARATION OF BENZAMIDE, AND METHOD FOR PREPARING NOVEL INTERMEDIATE DONG A ST CO LTD (KR) 2021-09-22 EP disclosed
US-9845308-B2 Isoindoline inhibitors of ROR-gamma VITAE PHARMACEUTICALS, INC. (US) 2017-12-19 US disclosed
US-9771348-B2 Method for preparing benzamide derivative, novel intermediate used in preparation of benzamide, and method for preparing novel intermediate DONG-A ST CO., LTD (KR) 2017-09-26 US disclosed
US-9630945-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-04-25 US disclosed
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 US disclosed
US-7589109-B2 Oxyindole derivatives PFIZER INC (US) 2009-09-15 US disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 US disclosed
US-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-10-16 US disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
US-20060194842-A1 Oxyindole derivatives PFIZER INC. 2006-08-31 US disclosed
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives PFIZER INC 2005-12-15 US disclosed
US-5254560-A Treating disorders involving hyperactivity of adrenergic system in lower urinary tract SYNTHELABO (FR) 1993-10-19 US disclosed
US-5246939-A Antiadrenergic systems for lower urinary apparatus SYNTHELABO (FR) 1993-09-21 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 (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-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 GABRA5 1448/4885GABRB2 3719/4885SLC6A1 2531/4885
US-20080255113-A1 Quinolonecarboxylic Acid Compounds Having 5-Ht4 Receptor Agonistic Activity HTR4, HRH4, HRH2 GABRA5 195/4885GABRB2 315/4885SLC6A1 893/4885
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 GABRA5 153/4885GABRB2 319/4885SLC6A1 1482/4885
US-20050277672-A1 Benzimidazolone carboxylic acid derivatives HRH2, HRH4, GPR4 GABRA5 165/4885GABRB2 385/4885SLC6A1 1048/4885
US-20060194842-A1 Oxyindole derivatives HTR4, HTR5A, HRH4 GABRA5 893/4885GABRB2 1606/4885SLC6A1 751/4885
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity HRH4, HRH2, GPR4 GABRA5 380/4885GABRB2 573/4885SLC6A1 2540/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 GABRA5 1458/4885GABRB2 3729/4885SLC6A1 2540/4885
US-20250019387-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS GABRA5 4175/4885GABRB2 3750/4885SLC6A1 4613/4885

“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.