SCHEMBL19702013

SCHEMBL19702013

CC(C)c1cccc(N2CC3CNCC3C2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.57
NOTUM Q6P988 2/20 0.50
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CHRNA7 P36544 2/20 0.48
HRH3 Q9Y5N1 1/20 0.43
KHK P50053 1/20 0.43

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
SCHEMBL19702011 0.83 NOTUM (0.51) NOTUMCHRNB2CHRNA4CHRNA7HRH3
SCHEMBL19702015 0.81 NOTUM (0.50) BPTFNOTUMHRH3
SCHEMBL25752839 0.80 NOTUM (0.55) NOTUMHRH3
SCHEMBL22187756 0.79 NOTUM (0.51) NOTUMCHRNB2CHRNA4HRH3
SCHEMBL19711232 0.79 BPTF (0.62) BPTFNOTUMCHRNB2CHRNA4CHRNA7
SCHEMBL19702010 0.78 NOTUM (0.50) NOTUMHRH3
SCHEMBL19702014 0.77 NOTUM (0.49) NOTUMHRH3
SCHEMBL19702012 0.77 NOTUM (0.55) NOTUMHRH3
SCHEMBL26498532 0.76 NOTUM (0.55) NOTUMHRH3
SCHEMBL27405160 0.76 NOTUM (0.51) NOTUMHRH3

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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 BPTF 1193/4885NOTUM 3221/4885CHRNB2 2984/4885

“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.