SCHEMBL3394444

SCHEMBL3394444

O=C(CCCN1CCc2cc(OCc3ccccc3)ccc2C(O)C1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 15/20 1.00
GRIN2B Q13224 15/20 1.00
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
GRM5 P41594 1/20 0.51
SIGMAR1 Q99720 1/20 0.51

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
SCHEMBL7886799 0.89 GRIN1 (1.00) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3396835 0.86 GRIN2B (0.75) GRIN1GRIN2BHTR1ADRD2HTR2A
SCHEMBL3398496 0.83 GRIN2B (1.00) GRIN1GRIN2BHTR1ADRD2HTR2A
SCHEMBL3393477 0.81 GRIN2B (1.00) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3392267 0.81 GRIN2B (1.00) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3396633 0.79 GRIN1 (1.00) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3394898 0.78 GRIN1 (1.00) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3394471 0.78 GRIN1 (1.00) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL18587450 0.76 GRIN1 (0.81) GRIN1GRIN2BGRM5SIGMAR1
SCHEMBL3397297 0.75 GRIN2B (0.77) GRIN1GRIN2BHTR1ADRD2HTR2A

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 2/4885HTR1A 646/4885

“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.