SCHEMBL4622270

SCHEMBL4622270

COc1ccc2c(c1)CCC(CC(=O)N(C)C)C2=O

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.61
CYP26A1 O43174 3/20 0.61
CYP27A1 Q02318 3/20 0.58
CYP19A1 P11511 2/20 0.58
METAP1 P53582 2/20 0.55
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
ACHE P22303 3/20 0.47
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47

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
SCHEMBL4623999 0.88 CYP24A1 (0.58) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL6272211 0.88 METAP1 (0.68) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL4621871 0.86 CYP24A1 (0.68) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL7345441 0.86 CYP24A1 (0.53) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL9855296 0.85 CYP24A1 (0.63) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL14061633 0.84 CYP24A1 (0.60) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL4621273 0.84 CYP26A1 (0.61) CYP24A1CYP26A1CYP19A1THRATHRB
SCHEMBL8012038 0.83 METAP1 (0.78) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL7590283 0.83 METAP1 (0.78) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
Hydrochloric Acid SCHEMBL10341505 0.82 METAP1 (0.78) CYP24A1CYP26A1CYP27A1CYP19A1METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270545-B1 PROCESS FOR PRODUCING AMINE DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2008-11-05 EP disclosed
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-6784314-B2 HAVING THE ACTION OF INHIBITING THE SECRETION AND ACCUMULATION OF AMYLOID BETA PROTEIN TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-08-31 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-20030139602-A1 Process for producing amine derivatives TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-07-24 US disclosed
EP-1270545-A1 PROCESS FOR PRODUCING AMINE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP 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 (3 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 CYP24A1 2471/4885CYP26A1 3014/4885CYP27A1 1819/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 CYP24A1 2097/4885CYP26A1 826/4885CYP27A1 868/4885
US-20030139602-A1 Process for producing amine derivatives APP, BACE1, IAPP CYP24A1 3104/4885CYP26A1 2578/4885CYP27A1 2123/4885

“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.