SCHEMBL18296386

SCHEMBL18296386

CC(C)(O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.59
SIRT6 Q8N6T7 2/20 0.56
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.53
ADRB1 P08588 1/20 0.53
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HSD11B1 P28845 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL30879129 0.87 MEN1 (0.56) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL23104698 0.83 MAPT (0.56) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL10035934 0.82 POLB (0.59) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL25447159 0.82 MAPT (0.59) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL21526566 0.81 MAPT (0.58) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL6714560 0.80 MEN1 (0.73) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL27789 0.80 MAPT (0.64) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL25175239 0.79 MAPT (0.55) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL15244285 0.79 MAPT (0.55) MAPTSIRT6ALDH1A1LMNAMEN1
SCHEMBL25176060 0.79 MAPT (0.60) MAPTSIRT6ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 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 (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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK MAPT 4203/4885SIRT6 2953/4885ALDH1A1 4726/4885

“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.