SCHEMBL4621043

SCHEMBL4621043

CCN(CC)CCC1CCc2cc(O)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.54
DRD2 P14416 9/20 0.50
DRD3 P35462 9/20 0.50
DRD4 P21917 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTR1A P08908 1/20 0.49
ADRB2 P07550 1/20 0.49
CYP2D6 P10635 1/20 0.49
CASP1 P29466 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.48
CYP26A1 O43174 1/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL5582712 0.86 CYP19A1 (0.53) CYP19A1DRD2DRD3DRD4MEN1
SCHEMBL4621898 0.86 CYP19A1 (0.53) CYP19A1DRD2DRD3DRD4MEN1
Hydrochloric Acid SCHEMBL4622834 0.84 CYP19A1 (0.52) CYP19A1DRD2DRD3DRD4MEN1
SCHEMBL6156864 0.84 CYP19A1 (0.57) CYP19A1DRD2DRD3DRD4MEN1
SCHEMBL4623601 0.81 DRD2 (0.57) CYP19A1DRD2DRD3DRD4MEN1
SCHEMBL4621095 0.81 CYP19A1 (0.51) CYP19A1DRD2DRD3DRD4MEN1
SCHEMBL630379 0.81 CYP19A1 (0.60) CYP19A1DRD2DRD3DRD4MEN1
Hydrochloric Acid SCHEMBL4621071 0.80 CYP19A1 (0.57) CYP19A1DRD2DRD3DRD4CYP26A1
Hydrochloric Acid SCHEMBL5628955 0.80 DRD2 (0.56) CYP19A1DRD2DRD3DRD4MEN1
Hydrochloric Acid SCHEMBL4623760 0.80 CYP19A1 (0.50) CYP19A1DRD2DRD3DRD4MEN1

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 CYP19A1 3414/4885DRD2 1283/4885DRD3 1111/4885
US-20040077867-A1 Amine compounds, their production and use QSOX1, APP, NPR1 CYP19A1 592/4885DRD2 1627/4885DRD3 1791/4885

“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.