SCHEMBL6521793

SCHEMBL6521793

CCN1CCCC1COc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB1 P11230 2/20 0.45
CHRNB2 P17787 2/20 0.45
CHRNB4 P30926 2/20 0.45
CHRNA3 P32297 2/20 0.45
CHRNB3 Q05901 2/20 0.45
IL1B P01584 1/20 0.39
VNN1 O95497 1/20 0.39
CNR2 P34972 1/20 0.37
SPHK1 Q9NYA1 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
SCHEMBL450027 0.85 CHRNB4 (0.60) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL447762 0.85 CHRNB4 (0.60) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL447049 0.85 CHRNB4 (0.60) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6521787 0.83 VNN1 (0.46) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL24565690 0.82 CHRNB4 (0.56) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL24565686 0.82 CHRNB4 (0.56) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL24565689 0.82 CHRNB4 (0.56) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL6224599 0.81 CHRNB4 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL3147108 0.81 CHRNB4 (0.43) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3
SCHEMBL5259527 0.79 CHRNB1 (0.41) CHRNB1CHRNB2CHRNB4CHRNA3CHRNB3

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-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2011-03-03 US claimed
US-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof IRM LLC 2011-03-03 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-20110053932-A1 Protein Kinase Inhibitors and Methods for Using Thereof BMX, FRK, FYN CHRNB1 1319/4885CHRNB2 1445/4885CHRNB4 2101/4885

“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.