SCHEMBL4622240

SCHEMBL4622240

CN(C)C(=O)CC1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.59
ITGA2B P08514 1/20 0.59
CYP26A1 O43174 6/20 0.54
CYP24A1 Q07973 6/20 0.50
DGAT1 O75907 1/20 0.47
PPARD Q03181 1/20 0.46
FFAR1 O14842 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CYP27A1 Q02318 3/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
GSTP1 P09211 1/20 0.44
CYP19A1 P11511 1/20 0.43
PPARG P37231 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
SCHEMBL8203550 0.85 ITGB3 (0.58) ITGB3ITGA2BCYP26A1CYP24A1FFAR1
SCHEMBL8199675 0.82 ITGB3 (0.56) ITGB3ITGA2BCYP26A1CYP24A1FFAR1
SCHEMBL1567865 0.82 FFAR1 (0.61) PPARDFFAR1PPARG
SCHEMBL1567864 0.80 BACE1 (0.59) ITGB3ITGA2BCYP26A1DGAT1FFAR1
SCHEMBL4622270 0.80 CYP24A1 (0.61) ITGB3ITGA2BCYP26A1CYP24A1THRA
SCHEMBL8200304 0.79 ITGB3 (0.60) ITGB3ITGA2BCYP26A1CYP24A1DGAT1
SCHEMBL8199673 0.79 ITGB3 (0.57) ITGB3ITGA2BCYP26A1CYP24A1DGAT1
SCHEMBL8198563 0.79 ITGB3 (0.54) ITGB3ITGA2BCYP26A1CYP24A1FFAR1
SCHEMBL8192550 0.78 ITGB3 (0.56) ITGB3ITGA2BCYP26A1CYP24A1MAOA
SCHEMBL8198782 0.77 ITGB3 (0.55) ITGB3ITGA2BCYP26A1CYP24A1FFAR1

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 ITGB3 4756/4885ITGA2B 4859/4885CYP26A1 3014/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 ITGB3 4797/4885ITGA2B 4786/4885CYP26A1 826/4885

“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.