SCHEMBL3396835

SCHEMBL3396835

COc1ccc2c(c1)CCN(CCCC(=O)c1ccc(F)cc1)CC2O

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.75
GRIN1 Q05586 4/20 0.75
HTR2A P28223 4/20 0.61
DRD2 P14416 3/20 0.61
HTR2C P28335 2/20 0.61
HTR1A P08908 2/20 0.54
HTR7 P34969 2/20 0.54
HRH1 P35367 2/20 0.54
DRD3 P35462 2/20 0.54
HTR2B P41595 2/20 0.54
SLC6A4 P31645 1/20 0.54
TSHR P16473 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
SCHEMBL3397297 0.89 GRIN2B (0.77) GRIN2BGRIN1HTR2ADRD2HTR2C
SCHEMBL3398496 0.86 GRIN2B (1.00) GRIN2BGRIN1HTR2ADRD2HTR2C
SCHEMBL3394444 0.86 GRIN1 (1.00) GRIN2BGRIN1HTR2ADRD2HTR1A
SCHEMBL23178364 0.83 GRIN2B (0.81) GRIN2BGRIN1
SCHEMBL3394401 0.78 GRIN2B (0.73) GRIN2BGRIN1
SCHEMBL23178360 0.77 GRIN2B (0.88) GRIN2BGRIN1
SCHEMBL7886799 0.76 GRIN1 (1.00) GRIN2BGRIN1
SCHEMBL11813785 0.76 DRD2 (0.55) GRIN2BGRIN1HTR2ADRD2HTR2C
SCHEMBL3394342 0.76 GRIN2B (0.79) GRIN2BGRIN1
SCHEMBL10834383 0.75 DRD2 (0.61) HTR2ADRD2HTR2CHTR1ADRD3

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 GRIN2B 2/4885GRIN1 1/4885HTR2A 546/4885

“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.