SCHEMBL10094355

SCHEMBL10094355

CC(C)c1cccnc1N1CCc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 11/20 0.63
GRIN3B O60391 11/20 0.63
GRIN1 Q05586 11/20 0.63
GRIN2A Q12879 11/20 0.63
GRIN2B Q13224 11/20 0.63
GRIN2C Q14957 11/20 0.63
GRIN3A Q8TCU5 11/20 0.63
EED O75530 2/20 0.48
CHRM1 P11229 4/20 0.45
ADRA1D P25100 4/20 0.45
ADRA1A P35348 4/20 0.45
ADRA1B P35368 4/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PLK1 P53350 1/20 0.42

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
SCHEMBL10094645 0.81 GRIN2D (0.68) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6439907 0.78 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10094234 0.78 NUDT1 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19107154 0.77 HRH4 (0.50)
SCHEMBL10094211 0.77 HPGD (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL26790144 0.77 CYP1A2 (0.45) TSHRMEN1KMT2A
SCHEMBL10094245 0.77 CYP1A2 (0.49) LMNATSHRHSD17B10MEN1KMT2A
SCHEMBL2609324 0.75 CYP1A2 (0.51) LMNATSHRHSD17B10MEN1KMT2A
SCHEMBL7646582 0.73 GRIN2D (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10094356 0.73 MAPT (0.40) LMNAMEN1NPC1RAB9AKMT2A

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-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 GRIN2D 1249/4885GRIN3B 844/4885GRIN1 625/4885

“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.