SCHEMBL20061876

SCHEMBL20061876

CC(=O)N1CCN(C(=O)COC(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 3/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL26318126 0.92 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL21813931 0.85 MEN1 (0.41) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL7855456 0.85 TDP1 (0.45) ALDH1A1KMT2ATDP1CYP1A2HSD17B10
SCHEMBL21999479 0.84 ATM (0.45) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL9911426 0.84 ATM (0.50) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL20413347 0.83 KDM4E (0.51) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL25481778 0.82 MEN1 (0.49) ALDH1A1MEN1KMT2ATDP1HPGD
SCHEMBL20381630 0.80 UGT8 (0.36) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL12708648 0.79 TPSAB1 (0.51) ALDH1A1KMT2AL3MBTL1SMN1; SMN2POLB
SCHEMBL7855509 0.79 L3MBTL1 (0.63) ALDH1A1USP2LMNAHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2018-04-19 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-20180105512-A1 SUBSTITUTED BENZIMIDAZOLIUM COMPOUNDS USEFUL IN THE TREATMENT OF RESPIRATORY DISEASES TPSD1, TPSAB1, TMSB4X PIK3CD 3108/4885ALDH1A1 2197/4885MEN1 1290/4885

“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.