SCHEMBL4365547

SCHEMBL4365547

CC(C)C(=O)N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
CHRNB2 P17787 2/20 0.47
CHRNA3 P32297 2/20 0.47
CHRNA4 P43681 2/20 0.47
CHRNB3 Q05901 2/20 0.47
CHRNA6 Q15825 2/20 0.47
CHKA P35790 1/20 0.46
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
HPGD P15428 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
HSD11B1 P28845 1/20 0.38
CYP1A2 P05177 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL188170 1.00 CA2 (0.48) CA2CA12CA1CA9CHRNB2
Hydrochloric Acid SCHEMBL2047725 0.98 CA2 (0.46) CA2CA12CA1CA9CHRNB2
SCHEMBL10157078 0.92 CA2 (0.50) CA2CA12CA1CA9CHRNB2
Trifluoroacetic Acid SCHEMBL29701101 0.87 PKM (0.46) CA2CA12CA1CA9CHRNB2
Trifluoroacetic Acid SCHEMBL29701100 0.87 PKM (0.46) CA2CA12CA1CA9CHRNB2
SCHEMBL10615755 0.86 CHRNB2 (0.48) CA2CA12CA1CA9CHRNB2
SCHEMBL28015832 0.85 CA2 (0.43) CA2CA12CA1CA9CHRNB2
SCHEMBL2910273 0.84 CA2 (0.46) CA2CA12CA1CA9CHRNB2
SCHEMBL5440196 0.84 CA2 (0.46) CA2CA12CA1CA9CHRNB2
SCHEMBL2910275 0.84 CA2 (0.46) CA2CA12CA1CA9CHRNB2

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-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 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-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CA2 3931/4885CA12 4381/4885CA1 4333/4885

“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.