SCHEMBL6478152

SCHEMBL6478152

[NH]C(=O)CN1CCC(N2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
SIGMAR1 Q99720 2/20 0.45
L3MBTL3 Q96JM7 9/20 0.45
L3MBTL1 Q9Y468 8/20 0.45
MBTD1 Q05BQ5 5/20 0.45
MAPT P10636 1/20 0.44
TP53BP1 Q12888 2/20 0.42
L3MBTL4 Q8NA19 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL4041964 0.83 KDM4E (0.59) KDM4EALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL3064605 0.81 KDM4E (0.54) KDM4EALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL12640340 0.81 KDM4E (0.54) KDM4EALDH1A1SIGMAR1L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL27487445 0.81 KDM4E (0.57) KDM4EALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL7826195 0.81 KDM4E (0.57) KDM4EALDH1A1SIGMAR1L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL6623121 0.81 KDM4E (0.57) KDM4EALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL5173732 0.81 KDM4E (0.56) KDM4EALDH1A1SIGMAR1L3MBTL3L3MBTL1
Potassium Ion SCHEMBL7826197 0.80 KDM4E (0.52) KDM4EALDH1A1SIGMAR1L3MBTL3L3MBTL1
SCHEMBL3774050 0.80 KDM4E (0.73) KDM4EALDH1A1L3MBTL3L3MBTL1MBTD1
SCHEMBL1258251 0.80 GAA (0.56) KDM4EALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US claimed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 US claimed
US-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US disclosed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 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 (1 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-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof CALCA, CALCRL, P2RY1 KDM4E 4675/4885ALDH1A1 312/4885SIGMAR1 153/4885

“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.