SCHEMBL19702015

SCHEMBL19702015

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.50
VCP P55072 1/20 0.49
HRH3 Q9Y5N1 1/20 0.41
GRM2 Q14416 1/20 0.38
PIK3CD O00329 1/20 0.37
RXRA P19793 5/20 0.36
GRIN1 Q05586 5/20 0.36
GRIN2B Q13224 5/20 0.36
BPTF Q12830 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADAM10 O14672 1/20 0.34

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 0.86 NOTUM (0.51) NOTUMHRH3GRM2KCNH2
SCHEMBL19702016 0.83 NOTUM (0.47) NOTUMVCPHRH3GRM2PIK3CD
SCHEMBL19710846 0.83 VCP (0.50) NOTUMVCPKCNH2
SCHEMBL19702018 0.82 NOTUM (0.43) NOTUMVCPHRH3GRM2PIK3CD
SCHEMBL19702013 0.81 BPTF (0.57) NOTUMHRH3BPTF
SCHEMBL19702010 0.81 NOTUM (0.50) NOTUMHRH3GRM2PIK3CD
SCHEMBL25752839 0.80 NOTUM (0.55) NOTUMHRH3GRM2RXRAGRIN1
SCHEMBL22055881 0.80 BPTF (0.53) VCPHRH3BPTF
SCHEMBL19702012 0.80 NOTUM (0.55) NOTUMHRH3PIK3CDADAM10
SCHEMBL19702014 0.80 NOTUM (0.49) NOTUMVCPHRH3GRM2PIK3CD

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 3221/4885VCP 4706/4885HRH3 61/4885

“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.