SCHEMBL3935930

SCHEMBL3935930

CN1CC[N]C(N2CCOCC2)C1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PDE4D Q08499 1/20 0.33
ACHE P22303 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2A13 Q16696 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL11559892 0.83
SCHEMBL11556250 0.83
SCHEMBL7848494 0.82
SCHEMBL6507838 0.82
SCHEMBL1381531 0.78
SCHEMBL4041570 0.77 KDM4E (0.41)
SCHEMBL7452709 0.73 KDM4E (0.32)
SCHEMBL11555679 0.73 GRIN2B (0.42) ALDH1A1L3MBTL1
SCHEMBL4637085 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL11556524 0.73 KDM4E (0.39) ALDH1A1

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-20090306083-A1 Use of Trifluoromethyl Substituted Benzamides in teh Treatment of Neurological Disorders NOVARTIS AG 2009-12-10 US disclosed
US-20090099167-A1 Organic compounds NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH 2009-04-16 US disclosed
EP-2043638-A2 USE OF TRIFLUOROMETHYL SUBSTITUTED BENZAMIDES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2009-04-08 EP disclosed
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders SIVASANKARAN RAJEEV 2009-03-12 US disclosed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
EP-1993552-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2008-11-26 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2008008821-A2 USE OF TRIFLUOROMETHYL SUBSTITUTED BENZAMIDES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-17 WO disclosed
WO-2007103432-A9 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2008-01-10 WO disclosed
WO-2007103432-A2 USE OF PYRAZOLO[1,5A]PYRIMIDIN-7-YL AMINE DERIVATIVES IN THE TREATMENT OF NEUROLOGICAL DISORDERS NOVARTIS AG (CH) 2007-09-13 WO disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO disclosed
EP-1708710-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-10-11 EP disclosed
US-20050222171-A1 Organic compounds NOVARTIS AG (CH) 2005-10-06 US disclosed
WO-2005070431-A1 PYRAZOLO[1,5-A]PYRIMIDIN-7-YL-AMINE DERIVATIVES FOR USE IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-08-04 WO disclosed
US-4148895-A HYPOTENSIVE, ANTIARRHYMIA AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-10 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 (5 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-20090306083-A1 Use of Trifluoromethyl Substituted Benzamides in teh Treatment of Neurological Disorders EPHB3, EPHB2, EPHB1 ALDH1A1 816/4885HPGD 2857/4885PDE4D 699/4885
US-20090069315-A1 Use of Pyrazolo(1,5A)Pyrimidin-7-YL Amine Derivatives in the Treatment of Neurological Disorders EPHA5, EPHA7, EPHA1 ALDH1A1 578/4885HPGD 709/4885PDE4D 240/4885
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 ALDH1A1 1068/4885HPGD 852/4885PDE4D 1513/4885
US-20050222171-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885HPGD 2287/4885PDE4D 846/4885
US-20090099167-A1 Organic compounds JAK1, MAP3K5, MAP3K7 ALDH1A1 1515/4885HPGD 2287/4885PDE4D 846/4885

“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.