SCHEMBL23178366

SCHEMBL23178366

COc1ccc2c(c1)CCN(CCC#Cc1ccccn1)CC2O

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 9/20 0.67
GRIN1 Q05586 8/20 0.58
GRM5 P41594 1/20 0.46

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
SCHEMBL23178359 0.86 GRIN2B (0.63) GRIN2BGRIN1
SCHEMBL23178413 0.77 GRIN2B (0.57) GRIN2BGRIN1
SCHEMBL7884889 0.73 GRIN2B (1.00) GRIN2BGRIN1GRM5
SCHEMBL19213976 0.73 GRIN2B (1.00) GRIN2BGRIN1GRM5
SCHEMBL3393378 0.73 GRIN2B (0.98) GRIN2BGRIN1GRM5
SCHEMBL3394401 0.73 GRIN2B (0.73) GRIN2BGRIN1GRM5
SCHEMBL3393198 0.72 GRIN2B (0.77) GRIN2BGRIN1GRM5
SCHEMBL3391530 0.71 GRIN2B (0.73) GRIN2BGRIN1GRM5
SCHEMBL23178360 0.71 GRIN2B (0.88) GRIN2BGRIN1GRM5
SCHEMBL23178332 0.70 GRIN2B (0.81) GRIN2BGRIN1GRM5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094920-A1 NR2B LIGANDS; METHOD OF MAKING; AND USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-04-01 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-20210094920-A1 NR2B LIGANDS; METHOD OF MAKING; AND USE THEREOF GRIN3A, GRIN3B, GRIN1 GRIN2B 4/4885GRIN1 3/4885GRM5 15/4885

“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.