SCHEMBL19702011

SCHEMBL19702011

CC(C)c1cccc(N2CC3CN(C)CC3C2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.51
CHRNA7 P36544 2/20 0.43
KCNH2 Q12809 1/20 0.43
USP9X Q93008 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
GRM2 Q14416 1/20 0.38

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
SCHEMBL19702015 0.86 NOTUM (0.50) NOTUMKCNH2HRH3GRM2
SCHEMBL19702013 0.83 BPTF (0.57) NOTUMCHRNA7HRH3CHRNB2CHRNA4
SCHEMBL19702010 0.82 NOTUM (0.50) NOTUMUSP9XHRH3GRM2
SCHEMBL25752839 0.81 NOTUM (0.55) NOTUMKCNH2HRH3GRM2
SCHEMBL19702014 0.81 NOTUM (0.49) NOTUMHRH3GRM2
SCHEMBL19702012 0.81 NOTUM (0.55) NOTUMUSP9XHRH3
SCHEMBL26498532 0.81 NOTUM (0.55) NOTUMKCNH2HRH3GRM2
SCHEMBL26498531 0.81 NOTUM (0.51) NOTUMKCNH2HRH3GRM2
SCHEMBL29310100 0.80 CHRNA7 (0.45) CHRNA7KCNH2HRH3CHRNB2CHRNA4
SCHEMBL19702016 0.79 NOTUM (0.47) NOTUMUSP9XHRH3GRM2

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 NOTUM 3221/4885CHRNA7 1603/4885KCNH2 522/4885

“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.