SCHEMBL3394407

SCHEMBL3394407

CN(Cc1ccccc1)C(=O)CN1CCc2cc(O)ccc2C(O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 12/20 0.77
GRIN2B Q13224 12/20 0.77
SIGMAR1 Q99720 2/20 0.60
GRM5 P41594 1/20 0.60
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 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
SCHEMBL3394795 0.87 GRIN1 (1.00) GRIN1GRIN2B
SCHEMBL3424183 0.75 GRIN2B (1.00) GRIN1GRIN2BSIGMAR1GRM5
SCHEMBL22014781 0.74 GRIN2B (0.74) GRIN1GRIN2BSIGMAR1GRM5
SCHEMBL19216355 0.72 GRIN2B (0.78) GRIN1GRIN2BSIGMAR1GRM5
SCHEMBL12680198 0.70 ALDH1A1 (0.71) GRIN1GRIN2BHCRTR1HCRTR2MEN1
SCHEMBL3398505 0.70 GRIN2B (1.00) GRIN1GRIN2BSIGMAR1GRM5
SCHEMBL18586570 0.69 GRIN1 (0.50) GRIN1GRIN2BSIGMAR1GRM5
SCHEMBL15625022 0.69 KMT2A (0.62) GRIN1GRIN2BMEN1ALDH1A1POLB
SCHEMBL4039571 0.68 KMT2A (0.64) GRIN1GRIN2BSIGMAR1HCRTR1HCRTR2
SCHEMBL6383000 0.68 HCRTR1 (0.66) GRIN1GRIN2BHCRTR1HCRTR2MEN1

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 2/4885SIGMAR1 477/4885

“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.