SCHEMBL4740345

SCHEMBL4740345

CC(C)C(N)=NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.60
GRIN2B Q13224 12/20 0.55
GRIN1 Q05586 8/20 0.55
GRIN2D O15399 3/20 0.50
GRIN3B O60391 3/20 0.50
GRIN2A Q12879 3/20 0.50
GRIN2C Q14957 3/20 0.50
GRIN3A Q8TCU5 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
SCN2A Q99250 1/20 0.43
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 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
SCHEMBL14093510 0.79 NOS2 (0.53) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL1824026 0.78 NOS2 (0.53) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL14117381 0.78 NOS2 (0.57) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL14291059 0.77 NOS2 (0.96) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL20675953 0.77 NOS2 (0.96) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL45769 0.76 GRIN2B (0.68) NOS2GRIN2BGRIN1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL4737504 0.75 NOS2 (0.92) NOS2GRIN2BGRIN1GRIN2DGRIN3B
Amphetamine SCHEMBL28092355 0.74 TAAR1 (0.66) NOS2GRIN2BGRIN1GRIN2DGRIN3B
SCHEMBL2298200 0.74 GRIN2B (0.54) NOS2GRIN2BGRIN1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL4629266 0.74 GRIN2B (0.72) NOS2GRIN2BGRIN1GRIN2DGRIN3B

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
WO-2008089051-A1 N-SUBSTITUTED GLYCINE DERIVATIVES: PROLYL HYDROXYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-24 WO disclosed
US-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-07-17 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-20080171756-A1 N-Substituted Glycine Derivatives: Prolyl Hydroxylase Inhibitors HIF1AN, EGLN2, EGLN3 NOS2 176/4885GRIN2B 1547/4885GRIN1 1379/4885

“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.