SCHEMBL7999064

SCHEMBL7999064

Oc1ccc(OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.86
GRIN2D O15399 2/20 0.70
GRIN3B O60391 2/20 0.70
ADRA1D P25100 2/20 0.70
ADRA1A P35348 2/20 0.70
ADRA1B P35368 2/20 0.70
GRIN1 Q05586 2/20 0.70
GRIN2A Q12879 2/20 0.70
GRIN2B Q13224 2/20 0.70
GRIN2C Q14957 2/20 0.70
GRIN3A Q8TCU5 2/20 0.70
GAA P10253 1/20 0.68
TSHR P16473 2/20 0.67
POLB P06746 1/20 0.67
DRD2 P14416 1/20 0.64
ABCB1 P08183 2/20 0.62
RAB9A P51151 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KMT2A Q03164 3/20 0.61
MEN1 O00255 2/20 0.61

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
SCHEMBL12577241 0.89 DRD4 (0.84) DRD4GAATSHRPOLBDRD2
SCHEMBL8007258 0.88 DRD4 (0.81) DRD4GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL12577227 0.83 TSHR (0.74) DRD4GAATSHRPOLBABCB1
SCHEMBL8007642 0.83 DRD4 (0.72) DRD4GAATSHRPOLBDRD2
SCHEMBL13229781 0.81 DRD4 (0.74) DRD4GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL7402131 0.80 TMEM97 (0.82) GRIN2DGRIN3BADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL7402650 0.79 TMEM97 (0.80) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL12120898 0.79 MEN1 (0.84) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL14864563 0.78 DRD4 (0.80) DRD4GAAPOLBHSD17B10KMT2A
SCHEMBL12576638 0.78 DRD4 (0.80) DRD4GAATSHRHSD17B10KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 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-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 DRD4 264/4885GRIN2D 5/4885GRIN3B 8/4885

“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.