SCHEMBL4621214

SCHEMBL4621214

COc1ccc2c(c1)CCC(CNC(C)=O)C2

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.64
MTNR1B P49286 7/20 0.58
HTR2C P28335 2/20 0.58
CYP26A1 O43174 1/20 0.57
NQO2 P16083 3/20 0.55
CYP19A1 P11511 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ACHE P22303 1/20 0.53

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
SCHEMBL9500039 0.84 MTNR1A (0.58) MTNR1AMTNR1BHTR2CCYP26A1NQO2
Hydrochloric Acid SCHEMBL4621283 0.81 CYP19A1 (0.59) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4621033 0.80 CYP26A1 (0.61) MTNR1AMTNR1BCYP26A1CYP19A1CA1
SCHEMBL4623036 0.79 CYP26A1 (0.67) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4623098 0.79 BACE1 (0.59) CYP26A1
SCHEMBL7288575 0.79 CYP26A1 (0.67) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL4622326 0.78 CYP26A1 (0.58) MTNR1AMTNR1BCYP26A1CYP19A1CA1
SCHEMBL629921 0.78 CYP19A1 (0.64) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL629434 0.78 CYP19A1 (0.64) CYP26A1CYP19A1CA1CA2ACHE
SCHEMBL5261920 0.78 MTNR1A (1.00) MTNR1AMTNR1B

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 MTNR1A 105/4885MTNR1B 177/4885HTR2C 1505/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 MTNR1A 27/4885MTNR1B 70/4885HTR2C 251/4885

“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.