SCHEMBL3392245

SCHEMBL3392245

Oc1ccc2c(c1)CCN([C@H]1CC[C@@H](c3ccccc3)CC1)CC2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 1.00
GRIN2B Q13224 7/20 1.00
GRM5 P41594 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ESR1 P03372 5/20 0.49
ESR2 Q92731 5/20 0.49
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL3392243 1.00 GRIN1 (1.00) GRIN1GRIN2BGRM5SIGMAR1ESR1
SCHEMBL3394459 1.00 GRIN1 (1.00) GRIN1GRIN2BGRM5SIGMAR1ESR1
SCHEMBL18587456 0.84 GRIN2B (0.74) GRIN1GRIN2BDRD2DRD1DRD4
SCHEMBL3396820 0.84 GRIN2B (0.74) GRIN1GRIN2BDRD2DRD1DRD4
SCHEMBL3394777 0.84 GRIN2B (0.74) GRIN1GRIN2BDRD2DRD1DRD4
SCHEMBL3394780 0.84 GRIN2B (0.74) GRIN1GRIN2BDRD2DRD1DRD4
SCHEMBL3390701 0.82 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL3772950 0.82 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL3395790 0.82 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL3390698 0.82 GRIN1 (1.00) GRIN1GRIN2B

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-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES WESTFALISCHE WILHELMS-UNIVERSITAT MUNSTER (DE) 2018-09-06 US disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP 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-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES GRIN1, GRIN2B, GRIN3B GRIN1 1/4885GRIN2B 2/4885GRM5 17/4885

“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.