SCHEMBL19211451

SCHEMBL19211451

CC(C)c1cccc(-n2cc(CO)nn2)c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.67
GRIN1 Q05586 9/20 0.67
GRIN2B Q13224 9/20 0.67
NOTUM Q6P988 10/20 0.63
L3MBTL1 Q9Y468 1/20 0.60

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
SCHEMBL19211472 0.89 GRIN1 (0.71) RXRAGRIN1GRIN2BNOTUML3MBTL1
SCHEMBL16775726 0.87 RXRA (0.70) RXRAGRIN1GRIN2B
SCHEMBL19365355 0.86 RXRA (0.67) RXRAGRIN1GRIN2BNOTUM
SCHEMBL27984098 0.82 NOTUM (0.69) NOTUML3MBTL1
SCHEMBL19211383 0.81 NOTUM (0.68) RXRAGRIN1GRIN2BNOTUML3MBTL1
SCHEMBL19211339 0.80 RXRA (1.00) RXRAGRIN1GRIN2B
SCHEMBL25824836 0.79 RXRA (0.58) RXRAGRIN1GRIN2B
SCHEMBL25820296 0.79 RXRA (0.58) RXRAGRIN1GRIN2B
SCHEMBL19211459 0.78 NOTUM (1.00) RXRAGRIN1GRIN2BNOTUML3MBTL1
SCHEMBL5484732 0.78 NOTUM (1.00) NOTUML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071488-B Substituted 1,2, 3-triazoles as NR 2B-selective NMDA modulators 詹森药业有限公司 2021-08-13 CN disclosed
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US disclosed
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2020-09-08 US disclosed
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-09 US disclosed
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-05-09 US disclosed
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators JANSSEN PHARMACEUTICA NV (BE) 2019-03-19 US disclosed
CN-109071488-A Substituted 1,2,3- triazole is as NR2B- selective NMDA regulator 詹森药业有限公司 2018-12-21 CN disclosed
EP-3414233-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS Janssen Pharmaceutica NV (BE) 2018-12-19 EP disclosed
US-20180334451-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-11-22 US disclosed
WO-2017139428-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 WO disclosed
WO-2017139428-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-17 WO disclosed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 US disclosed
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-10 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 (5 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-20180334451-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 RXRA 2100/4885GRIN1 3/4885GRIN2B 4/4885
US-10766880-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 RXRA 2100/4885GRIN1 3/4885GRIN2B 4/4885
US-10233173-B2 Substituted 1,2,3-triazoles as NR2B-selective NMDA modulators GRIN3A, GRIN3B, GRIN1 RXRA 2100/4885GRIN1 3/4885GRIN2B 4/4885
US-20170226089-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 RXRA 2100/4885GRIN1 3/4885GRIN2B 4/4885
US-20190135791-A1 SUBSTITUTED 1,2,3-TRIAZOLES AS NR2B-SELECTIVE NMDA MODULATORS GRIN3A, GRIN3B, GRIN1 RXRA 2100/4885GRIN1 3/4885GRIN2B 4/4885

“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.