SCHEMBL4621034

SCHEMBL4621034

CCN(CC)C(=O)CC1CCc2cc(OC)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.55
CYP19A1 P11511 2/20 0.52
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
ACHE P22303 3/20 0.51
MCHR1 Q99705 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD4 P21917 2/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL4622569 0.88 CA1 (0.59) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL2305878 0.84 CYP26A1 (0.56) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL4621033 0.83 CYP26A1 (0.61) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL5859227 0.79 CYP19A1 (0.53) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL629921 0.79 CYP19A1 (0.64) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL629434 0.79 CYP19A1 (0.64) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL4621232 0.78 CA1 (0.57) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL4623036 0.77 CYP26A1 (0.67) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL7288575 0.77 CYP26A1 (0.67) CYP26A1CYP19A1DRD2DRD3CA1
SCHEMBL7071464 0.77 CYP26A1 (0.48) CYP26A1CYP19A1DRD2DRD3CA1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0971878-B1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-03-26 EP disclosed
US-7256204-B2 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-14 US disclosed
US-20040077867-A1 Amine compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-22 US disclosed
US-6613805-B2 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-02 US disclosed
US-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders THE UNIVERSITY OF TOKYO (JP) 2002-03-14 US disclosed
US-6310107-B1 (+)-6-(4-BIPHENYLYL)METHOXY-2-(2-(N,N-DIMETHYLAMINO)ETHYL)TETR ALIN, OR A SALT IS USEFUL FOR INHIBITING PRODUCTION AND/OR SECRETION OF AMYLOID-BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 US disclosed
EP-0971878-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2000-01-19 EP disclosed
WO-1998038156-A1 AMINE COMPOUNDS, THEIR PRODUCTION AND USE AS AMYLOID-BETA PRODUCTION INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-03 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 (2 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-20020032189-A1 For therapy and prophylaxis of neurodegenerative diseases such as Alzheimer's disease, Down's syndrome, Parkinson's disease, Creutzfeldt-Jacob disease, amyotrophic sclerosis on lateral fasciculus, multiple sclerosis, and neurological disorders PARK7, PSEN1, PRNP CYP26A1 3014/4885CYP19A1 3414/4885DRD2 1283/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 CYP26A1 826/4885CYP19A1 592/4885DRD2 1627/4885

“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.