SCHEMBL4622091

SCHEMBL4622091

ICCC1CCc2cc(OCc3ccc(-c4ccccc4)cc3)ccc2C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.71
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
HRH3 Q9Y5N1 6/20 0.48
CYP2D6 P10635 3/20 0.48
HRH1 P35367 1/20 0.48
MCHR1 Q99705 1/20 0.46
FAAH O00519 5/20 0.46
CYP26A1 O43174 1/20 0.44
FFAR1 O14842 1/20 0.44
KDM1A O60341 1/20 0.43
GSTP1 P09211 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL363495 0.89 BACE1 (0.71) BACE1ITGB3ITGA2BHRH3CYP2D6
SCHEMBL4622208 0.89 BACE1 (0.71) BACE1ITGB3ITGA2BHRH3CYP2D6
SCHEMBL4623683 0.86 BACE1 (0.54) BACE1ITGB3ITGA2BHRH3CYP2D6
SCHEMBL1269557 0.86 BACE1 (0.67) BACE1ITGB3ITGA2BHRH3CYP2D6
SCHEMBL4621878 0.86 BACE1 (0.67) BACE1ITGB3ITGA2BHRH3CYP2D6
SCHEMBL361018 0.86 BACE1 (0.67) BACE1ITGB3ITGA2BHRH3CYP2D6
Water SCHEMBL4978875 0.85 BACE1 (0.66) BACE1ITGB3ITGA2BHRH3CYP2D6
SCHEMBL14076210 0.85 BACE1 (0.66) BACE1ITGB3ITGA2BHRH3CYP2D6
Hydrochloric Acid SCHEMBL4622556 0.85 BACE1 (0.66) BACE1ITGB3ITGA2BHRH3CYP2D6
Hydrochloric Acid SCHEMBL4622991 0.85 BACE1 (0.66) BACE1ITGB3ITGA2BHRH3CYP2D6

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 BACE1 23/4885ITGB3 4756/4885ITGA2B 4859/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 BACE1 48/4885ITGB3 4797/4885ITGA2B 4786/4885

“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.