SCHEMBL10201516

SCHEMBL10201516

CB(O)N1CC2CCC(C1)N2c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
RAB9A P51151 1/20 0.49
CHRNB2 P17787 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.39
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TGM2 P21980 1/20 0.31

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
SCHEMBL610381 0.83 MAPT (0.56) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL10201947 0.83 MAPT (0.56) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL23104653 0.78 MAPT (0.52) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL10201506 0.78 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL30512249 0.76 GPR119 (0.48) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL611748 0.76 GPR119 (0.48) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL29741883 0.73 MAPT (0.42) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL17055250 0.72 MAPT (0.58) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL17055240 0.72 MAPT (0.58) MAPTRAB9ACHRNB2CHRNA4CHRNB4
SCHEMBL31072956 0.72 MAPT (0.55) MAPTRAB9ACHRNB2CHRNA4CHRNB4

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-8940741-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2015-01-27 US disclosed
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. (US) 2013-07-11 US disclosed
US-8481540-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2013-07-09 US disclosed
US-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BERTHEL STEVEN JOSEPH (US) 2012-02-16 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-20120040949-A1 Inhibitors of Bruton's Tyrosine Kinase BTK, SYK, LYN MAPT 4109/4885RAB9A 3106/4885CHRNB2 4010/4885
US-20130178461-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN MAPT 4109/4885RAB9A 3106/4885CHRNB2 4010/4885

“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.