SCHEMBL3393825

SCHEMBL3393825

C[C@H]1[C@@H](O)c2ccc(OCc3ccccc3)cc2CCN1CCCCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 12/20 0.66
GRIN2B Q13224 12/20 0.66
HRH3 Q9Y5N1 1/20 0.51
GHSR Q92847 1/20 0.48
GRM5 P41594 1/20 0.48
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL3394507 1.00 GRIN1 (0.66) GRIN1GRIN2BHRH3GHSRGRM5
SCHEMBL3393461 1.00 GRIN1 (0.66) GRIN1GRIN2BHRH3GHSRGRM5
SCHEMBL13069934 1.00 GRIN1 (0.66) GRIN1GRIN2BHRH3GHSRGRM5
SCHEMBL3397537 1.00 GRIN1 (0.66) GRIN1GRIN2BHRH3GHSRGRM5
SCHEMBL7888211 0.90 GRIN2B (0.67) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL7879126 0.90 GRIN2B (0.67) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3396212 0.86 GRIN2B (0.63) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3392584 0.86 GRIN2B (0.63) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3394371 0.86 GRIN2B (0.63) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3421512 0.86 GRIN2B (0.63) GRIN1GRIN2BGRM5SIGMAR1

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 5 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
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 WO disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 WO 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 2/4885HRH3 201/4885

“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.