SCHEMBL2495115

SCHEMBL2495115

CN(C)C(=O)[C@@H](N)CCCCN(C(=O)O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.36
NOS3 P29474 3/20 0.36
NOS1 P29475 3/20 0.36
GSR P00390 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
ARG1 P05089 3/20 0.31
ARG2 P78540 3/20 0.31
PDF Q9HBH1 1/20 0.31

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
Methane SCHEMBL30958396 0.80 ALDH1A1 (0.40) NOS2NOS3NOS1GRIK1GRIK2
SCHEMBL14311843 0.78 NOS2 (0.40) NOS2NOS3NOS1GSRDPP4
SCHEMBL6670962 0.75 GABRP (0.41) NOS2NOS3NOS1SLC1A2SLC1A1
SCHEMBL3893609 0.75 NOS3 (0.32) NOS2NOS3NOS1
SCHEMBL3893611 0.75 NOS3 (0.32) NOS2NOS3NOS1
SCHEMBL6245968 0.72 NOS3 (0.33) NOS2NOS3NOS1
SCHEMBL1852682 0.72 NOS3 (0.33) NOS2NOS3NOS1
SCHEMBL6665323 0.72 ALDH1A1 (0.35) NOS2NOS3NOS1GRIK1GRIK2
SCHEMBL838138 0.72 CHRM2 (0.38) GSRCYP1A2TSHR
SCHEMBL2280440 0.72 GSR (0.57) NOS2NOS3NOS1GSRDPP4

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-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 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-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 NOS2 635/4885NOS3 1863/4885NOS1 937/4885

“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.