SCHEMBL25707166

SCHEMBL25707166

C[C@H]1CN(C)CCN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
RAB9A P51151 1/20 0.55
CHRNB2 P17787 3/20 0.51
CHRNA4 P43681 3/20 0.51
POLB P06746 1/20 0.49
CHRNB4 P30926 2/20 0.47
CHRNA3 P32297 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
HSF1 Q00613 1/20 0.40
GSK3B P49841 2/20 0.38
SIRT6 Q8N6T7 2/20 0.38
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
PIK3CD O00329 1/20 0.35

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
SCHEMBL21275805 0.86 MAPT (0.55) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL14914028 0.83 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL14914029 0.83 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL20267954 0.83 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL28957927 0.83 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL26633382 0.81 MAPT (0.57) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL29739552 0.81 MAPT (0.57) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL30695914 0.81 MAPT (0.57) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL26633381 0.81 MAPT (0.57) MAPTRAB9ACHRNB2CHRNA4POLB
SCHEMBL17662808 0.81 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4POLB

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-20230250103-A1 PROCESS FOR PREPARING BTK INHIBITORS GENENTECH, INC. (US) 2023-08-10 US disclosed
US-11661424-B2 Process for preparing BTK inhibitors GENENTECH, INC. (US) 2023-05-30 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-20230250103-A1 PROCESS FOR PREPARING BTK INHIBITORS BTK, SYK, LYN MAPT 3903/4885RAB9A 2311/4885CHRNB2 4620/4885
US-11661424-B2 Process for preparing BTK inhibitors BTK, SYK, LYN MAPT 3903/4885RAB9A 2311/4885CHRNB2 4620/4885

“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.