SCHEMBL4607696

SCHEMBL4607696

COC(C)(C)C1CCCN1N

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.37
PIK3C3 Q8NEB9 2/20 0.33
DPP4 P27487 1/20 0.30

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
SCHEMBL5378515 1.00 NUDT1 (0.37) NUDT1PIK3C3DPP4
SCHEMBL7654045 1.00 NUDT1 (0.37) NUDT1PIK3C3DPP4
SCHEMBL24784976 0.78 NUDT1 (0.37) NUDT1PIK3C3
SCHEMBL19275760 0.78 NUDT1 (0.37) NUDT1PIK3C3
SCHEMBL24621749 0.74 NUDT1 (0.35) NUDT1PIK3C3
SCHEMBL19275751 0.74 NUDT1 (0.35) NUDT1PIK3C3
SCHEMBL5078738 0.74 DPP4 (0.38) NUDT1PIK3C3DPP4
SCHEMBL17386672 0.71 LMNA (0.40) NUDT1PIK3C3DPP4
SCHEMBL14624925 0.67
SCHEMBL6113839 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3853219-B1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AG (DE) 2023-07-12 EP disclosed
US-20220033363-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-03 US disclosed
WO-2020058062-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 WO disclosed
US-8207156-B2 Substituted pyrazoline compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-06-26 US disclosed
EP-1946777-A1 Substituted pyrazoline for preventing weight gain Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
EP-1946778-A1 Active substance combination for the treatment of diabetes Laboratorios del Dr. Esteve S.A. (ES) 2008-07-23 EP disclosed
US-20070185086-A1 Pharmaceutical Compositions and Methods for Effecting Dopamine Release BENCHERIF MEROUANE 2007-08-09 US disclosed
US-7214686-B2 Pharmaceutical compositions and methods for effecting dopamine release TARGACEPT, INC. (US) 2007-05-08 US disclosed
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-25 US disclosed
EP-1743888-A1 Carbonyl substituted pyrazoline compounds, their preparation and use as CB1 receptor modulators LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-01-17 EP disclosed
EP-1066287-B1 AZATRICYCLIC COMPOUNDS TARGACEPT INC (US) 2003-09-03 EP disclosed
EP-1068208-B1 AZATRICYCLO[3.3.1.1] DECANE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TARGACEPT INC (US) 2003-05-14 EP disclosed
US-6525065-B1 Central nervous system disorders; administering an endo or exo form of a 1-aza-2-(3-pyridyl)bicyclo(2.2.1)heptane, or a 1-aza-7-(3-pyridyl)bicyclo(3.2.2) nonane, or a 1-aza-2-(3-pyridyl)bicyclo(2.2.2)octane TARGACEPT, INC. 2003-02-25 US disclosed
US-6417359-B1 1-AZAADAMANTANE DERIVATIVES; NICOTINIC CHOLINERGIC RECEPTOR DRUGS; NEUROPROTECTIVE AGENTS; NERVOUS SYSTEM, PSYCHOLOGICAL, AND GLANDULAR DISORDERS; SIDE EFFECT REDUCTION TARGACEPT, INC. 2002-07-09 US disclosed
US-6407103-B2 POTENT ENZYME INHIBITORS OF CYCLIN-DEPENDENT KINASES RELATING TO THE CATALYTIC SUBUNITS CDK1-9 AND THEIR REGULATORY SUBUNITS CYCLINS A-H; ANTIPROLIFERATIVE, -CARCINOGENIC AND -TUMOR AGENTS; VIRICIDES; MODULATORS OF DNA/RNA BIOSYNTHESIS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-18 US disclosed
US-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses DUPONT PHARMACEUTICALS COMPANY 2001-10-04 US disclosed
US-6211372-B1 THERAPY FOR NERVOUS SYSTEM DISORDERS CROOKS PETER ANTHONY (US) 2001-04-03 US disclosed
US-6057446-A Certain 1-aza-tricyclo [3.3.1-13,7 ] decane compounds TARGACEPT, INC., A CORPORATION OF DELAWARE 2000-05-02 US disclosed
US-5986100-A 1-AZA-2-(3-PYRIDYL)-1-AZATRICYCLO(3.3.1.1 3,7)DECANE NICOTINIC CHOLINERGIC AGENTS TARGACEPT, INC. 1999-11-16 US disclosed
US-5952339-A Pharmaceutical compositions and methods of using nicotinic antagonists for treating a condition or disorder characterized by alteration in normal neurotransmitter release TARGACEPT, INC. 1999-09-14 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 (4 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-20010027195-A1 Indeno [1,2-c]pyrazol-4-ones and their uses CDK1, CCNA1, CDK19 NUDT1 2399/4885PIK3C3 1504/4885DPP4 3986/4885
US-20070185086-A1 Pharmaceutical Compositions and Methods for Effecting Dopamine Release COMT, SLC6A3, HTR2A NUDT1 281/4885PIK3C3 1502/4885DPP4 2531/4885
US-20220033363-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES DDT, CBR3, CAT NUDT1 377/4885PIK3C3 1191/4885DPP4 31/4885
US-20070021398-A1 Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments PIR, SYMPK, P2RX5 NUDT1 158/4885PIK3C3 488/4885DPP4 38/4885

“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.