SCHEMBL4622244

SCHEMBL4622244

O=C(O)CC1CCc2cc(OCc3ccc4ccccc4c3)ccc2C1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.68
ITGA2B P08514 1/20 0.68
FFAR1 O14842 3/20 0.57
BACE1 P56817 1/20 0.50
DGAT1 O75907 1/20 0.48
FAAH O00519 5/20 0.48
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 3/20 0.47
S1PR1 P21453 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
CYP26A1 O43174 1/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3450818 0.88 ITGB3 (0.72) ITGB3ITGA2BFFAR1BACE1DGAT1
SCHEMBL7355172 0.85 ITGB3 (0.51) ITGB3ITGA2BFFAR1BACE1FAAH
SCHEMBL4623073 0.84 ITGB3 (0.74) ITGB3ITGA2BFFAR1BACE1DGAT1
SCHEMBL4622642 0.84 BACE1 (0.54) ITGB3ITGA2BFFAR1BACE1FAAH
SCHEMBL3451880 0.83 ITGB3 (0.72) ITGB3ITGA2BFFAR1BACE1DGAT1
SCHEMBL7346629 0.83 BACE1 (0.52) ITGB3ITGA2BFFAR1BACE1FAAH
SCHEMBL4623683 0.82 BACE1 (0.54) ITGB3ITGA2BFFAR1BACE1FAAH
SCHEMBL7347857 0.82 ITGB3 (0.64) ITGB3ITGA2BFFAR1BACE1DGAT1
Lithium Ion SCHEMBL7346623 0.82 BACE1 (0.52) ITGB3ITGA2BFFAR1BACE1FAAH
SCHEMBL14440080 0.81 MCHR1 (0.53) ITGB3ITGA2BFFAR1BACE1S1PR1

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 6 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

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 4859/4885FFAR1 1181/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 ITGB3 4797/4885ITGA2B 4786/4885FFAR1 1024/4885

“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.