SCHEMBL529684

SCHEMBL529684

CN(C(=O)O)C1CCC(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.33

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
SCHEMBL3811874 1.00 ALDH1A1 (0.34) ALDH1A1ATM
Hydrochloric Acid SCHEMBL6154072 0.98 ALDH1A1 (0.33) ALDH1A1ATM
Hydrochloric Acid SCHEMBL6154069 0.98 ALDH1A1 (0.33) ALDH1A1ATM
SCHEMBL217412 0.88
SCHEMBL25221728 0.87 TRPM8 (0.38)
Hydrochloric Acid SCHEMBL4471911 0.85
SCHEMBL6993384 0.82 DPP4 (0.40) ALDH1A1ATM
SCHEMBL8218148 0.82 DPP4 (0.40) ALDH1A1ATM
SCHEMBL15191474 0.81 L3MBTL3 (0.38) ALDH1A1ATM
SCHEMBL967360 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11945784-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2024-04-02 US disclosed
EP-4328223-A2 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, LLC (US) 2024-02-28 EP disclosed
EP-2699553-B1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-11-08 EP disclosed
EP-3891130-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2023-10-25 EP disclosed
US-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2023-08-31 US disclosed
EP-4201924-A1 IRE1 SMALL MOLECULE INHIBITORS Cornell University (US) 2023-06-28 EP disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 US disclosed
EP-3630748-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2023-04-19 EP disclosed
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-04-13 US disclosed
US-20220251065-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2022-08-11 US disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES ABBOTT LABORATORIES (US) 2009-10-08 US disclosed
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives ABBOTT LABORATORIES (US) 2009-09-17 US disclosed
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
EP-1286673-B8 LIGANDS OF INTEGRIN RECEPTORS ABBOTT GMBH & CO KG (DE) 2005-07-20 EP disclosed
EP-1286673-B1 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2005-05-25 EP disclosed
EP-1286673-A2 LIGANDS OF INTEGRIN RECEPTORS Basf Aktiengesellschaft (DE) 2003-03-05 EP disclosed
WO-2001093840-A2 LIGANDS OF INTEGRIN RECEPTORS BASF AG (DE) 2001-12-13 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 (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-20230271935-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 ALDH1A1 3482/4885ATM 1533/4885
US-20090253678-A1 MACROCYCLIC PYRIMIDINE DERIVATIVES DPYD, TYMS, TYMP ALDH1A1 1436/4885ATM 544/4885
US-20090233904-A1 Macrocyclic Spiro Pyrimidine Derivatives DPYD, TYMS, TYMP ALDH1A1 970/4885ATM 553/4885
US-11945784-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 ALDH1A1 3482/4885ATM 1533/4885
US-20220251065-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 ALDH1A1 3482/4885ATM 1533/4885
US-20230116093-A1 SUBSTITUTED DIAMINOCARBOXAMIDE AND DIAMINOCARBONITRILE PYRIMIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, HDGF, MAP3K1 ALDH1A1 794/4885ATM 109/4885
US-11649224-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 ALDH1A1 3482/4885ATM 1533/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ALDH1A1 2222/4885ATM 4116/4885

“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.