SCHEMBL4294573

SCHEMBL4294573

CC1(C)NCCN(c2cc(N)ccn2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
CHRM1 P11229 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
KCNH2 Q12809 9/20 0.38
PIK3CD O00329 1/20 0.35
GRM4 Q14833 2/20 0.33
MAP3K14 Q99558 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL19913871 0.79 CRBN (0.54) GRM4CRBN
SCHEMBL4296946 0.78 CCNA2 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31472025 0.73 GRIN2D (0.42) OPRD1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL27915862 0.71 OPRD1 (0.37) OPRD1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL19913877 0.71 AR (0.50) PIK3CDGRM4
SCHEMBL3401617 0.70 GRM5 (0.34) PIK3CD
SCHEMBL18291456 0.70 CHRNB2 (0.36) PIK3CDGRM4
SCHEMBL26125601 0.69 OPRM1 (0.46)
SCHEMBL4288228 0.69 GRIN2D (0.45) OPRD1GRIN2DGRIN3BCHRM1ADRA1D
SCHEMBL3366428 0.68 PARP1 (0.49) OPRD1GRIN2DGRIN3BCHRM1ADRA1D

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-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 OPRD1 3629/4885GRIN2D 4148/4885GRIN3B 3211/4885

“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.