SCHEMBL4621273

SCHEMBL4621273

CN(C)C(=O)CC1CCc2cc(O)ccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.61
CYP19A1 P11511 3/20 0.55
CYP24A1 Q07973 1/20 0.49
DGAT1 O75907 1/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4622270 0.84 CYP24A1 (0.61) CYP26A1CYP19A1CYP24A1ACHEITGB3
SCHEMBL4622497 0.83 CYP26A1 (0.70) CYP26A1CYP19A1CYP24A1DGAT1ITGB3
SCHEMBL7798239 0.82 CYP26A1 (0.57) CYP26A1CYP19A1CYP24A1DGAT1ITGB3
SCHEMBL9855381 0.82 CYP26A1 (0.60) CYP26A1CYP19A1CYP24A1DGAT1ITGB3
SCHEMBL4622240 0.77 ITGB3 (0.59) CYP26A1CYP19A1CYP24A1DGAT1ITGB3
Iodide SCHEMBL9134607 0.76 CYP26A1 (0.63) CYP26A1CYP19A1CYP24A1ALDH1A1SMN1; SMN2
SCHEMBL14061950 0.76 CYP26A1 (0.67) CYP26A1CYP19A1CYP24A1DGAT1ITGB3
SCHEMBL14062161 0.75 CYP26A1 (0.55) CYP26A1CYP19A1CYP24A1THRATHRB
SCHEMBL4978386 0.75 ESR1 (0.57) CA1CA2ACHE
SCHEMBL6272440 0.75 METAP1 (0.65) CYP19A1ACHETHRATHRB

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 3414/4885CYP24A1 2471/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 CYP26A1 826/4885CYP19A1 592/4885CYP24A1 2097/4885

“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.