SCHEMBL3392271

SCHEMBL3392271

C[C@@H]1NCCc2cc(OCc3ccccc3)ccc2[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.47
GRIN2B Q13224 7/20 0.47
HRH3 Q9Y5N1 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL3396559 1.00 GRIN1 (0.47) GRIN1GRIN2BHRH3USP2MAPT
SCHEMBL3394954 1.00 GRIN1 (0.47) GRIN1GRIN2BHRH3USP2MAPT
SCHEMBL8294734 0.80 MAPKAPK2 (0.53) GRIN1GRIN2BHRH3
SCHEMBL3396567 0.79 HTR2C (0.57) GRIN1GRIN2BHTR2AHTR2C
SCHEMBL10962593 0.79 SLC22A1 (0.62)
SCHEMBL14781513 0.79 HRH3 (0.47) GRIN1GRIN2BHRH3
SCHEMBL7121558 0.78 MAPKAPK2 (0.51) GRIN1GRIN2B
SCHEMBL4940545 0.78 HTR2C (0.67) HRH3HTR2AHTR2C
SCHEMBL28314190 0.78 MAOA (0.49) GRIN1GRIN2BHRH3
SCHEMBL3394842 0.78 GRIN1 (0.54) GRIN1GRIN2BHRH3USP2MAPT

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 4 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

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.