SCHEMBL9918883

SCHEMBL9918883

CC(C)[C@]12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.59
GRIN3B O60391 1/20 0.59
GRIN1 Q05586 1/20 0.59
GRIN2A Q12879 1/20 0.59
GRIN2B Q13224 1/20 0.59
GRIN2C Q14957 1/20 0.59
GRIN3A Q8TCU5 1/20 0.59
PKM P14618 1/20 0.47
DPP4 P27487 11/20 0.46
SLC22A2 O15244 1/20 0.41
SLC47A1 Q96FL8 1/20 0.41
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.39
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
FAP Q12884 1/20 0.38
PITRM1 Q5JRX3 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
CYP3A4 P08684 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
SCHEMBL9918349 1.00 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL678338 1.00 GRIN2D (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3878156 0.87 PKM (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2761236 0.85 PKM (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
3-Hydroxyrimantadine SCHEMBL12855162 0.83 SLC22A2 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
3-Hydroxyrimantadine SCHEMBL2739148 0.83 SLC22A2 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
3-Hydroxyrimantadine SCHEMBL17818723 0.82 MAPT (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7454830 0.82 DPP4 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
3-Hydroxyrimantadine SCHEMBL17818722 0.82 MAPT (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14696758 0.80 DPP4 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 GRIN2D 4438/4885GRIN3B 3239/4885GRIN1 2020/4885

“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.