SCHEMBL4621271

SCHEMBL4621271

COc1ccc2c(c1)CCC=C2CC(=O)N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.62
ABCB1 P08183 1/20 0.44
KDM4E B2RXH2 3/20 0.42
GLA P06280 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
METAP1 P53582 2/20 0.40
ACHE P22303 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
BCHE P06276 1/20 0.40
ELANE P08246 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL3452288 0.88 MPO (0.67) MPOABCB1KDM4EGLASMN1; SMN2
SCHEMBL4622222 0.87 MPO (0.63) MPOABCB1KDM4EGLASMN1; SMN2
SCHEMBL9482430 0.83 MPO (0.64) MPOABCB1KDM4EGLASMN1; SMN2
SCHEMBL4621291 0.79 MAOB (0.45) ACHE
SCHEMBL10078298 0.78 MPO (0.52) MPOABCB1KDM4ESMN1; SMN2CA1
SCHEMBL15818200 0.76 MPO (0.74) MPOABCB1KDM4EMAPTMETAP1
SCHEMBL20235191 0.75 NQO2 (0.50) MPOKDM4EGLASMN1; SMN2MAPT
SCHEMBL6325529 0.75 MPO (0.59) MPOKDM4EGLASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL11078111 0.75 MPO (0.72) MPOABCB1KDM4EMAPTELANE
SCHEMBL10078296 0.74 MPO (0.51) MPOABCB1KDM4EMAPTHSD17B10

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
JP-11310561-A None JP disclosed
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
JP-H11310561-A PRODUCTION OF OPTICAL ISOMER TAKEDA CHEM IND LTD 1999-11-09 JP 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 MPO 4207/4885ABCB1 1439/4885KDM4E 3490/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 MPO 897/4885ABCB1 1536/4885KDM4E 2320/4885
US-20030139602-A1 Process for producing amine derivatives APP, BACE1, IAPP MPO 2716/4885ABCB1 2623/4885KDM4E 910/4885

“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.