SCHEMBL3334426

SCHEMBL3334426

C[C@H]1C2CC3CC(C2)CC1(C)C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.37
SLC47A1 Q96FL8 2/20 0.37
MAPT P10636 1/20 0.36
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
LMNA P02545 2/20 0.33
SLC22A1 O15245 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
STAT6 P42226 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
Phosphine SCHEMBL25171299 1.00 SLC22A2 (0.37) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
SCHEMBL498011 1.00 SLC22A2 (0.37) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Ammonia Solution, Strong SCHEMBL28147130 0.97 SLC22A2 (0.36) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL5707247 0.97 MAPT (0.39) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Hydrochloric Acid SCHEMBL29213093 0.95 MAPT (0.38) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Formamide SCHEMBL27718948 0.87 SLC22A2 (0.34) SLC22A2SLC47A1MAPTGRIN2DGRIN3B
Phosphoric Acid SCHEMBL27711128 0.87 GAA (0.43) SLC22A2SLC47A1
Formic Acid SCHEMBL28177125 0.87 THRB (0.31) SLC22A2SLC47A1THRB
SCHEMBL28239328 0.84
Biphenyl SCHEMBL261710 0.82 OPRK1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137448-A1 Methods for Treating Neuropsychiatric Disorders with NMDA Receptor Antagonists NEUROMOLECULAR, INC. 2010-06-03 US disclosed
EP-1852113-A2 Methods for treating neuropsychiatric disorders with NMDA receptors antagonists Neuromolecular Inc. (US) 2007-11-07 EP disclosed
EP-1351670-A4 METHODS FOR TREATING NEUROPSYCHIATRIC DISORDERS WITH NMDA RECEPTOR ANTAGONISTS NEUROMOLECULAR INC (US) 2004-07-07 EP disclosed
US-20040122090-A1 Methods for treating neuropsychiatric disorders with nmda receptor antagonists NEUROMOLECULAR PHARMACEUTICALS INC. 2004-06-24 US disclosed
CN-1486180-A Methods for treating neuropsychiatric disorders with NMDA receptor antagonists 纽热莫勒丘乐有限公司 2004-03-31 CN disclosed
EP-1351670-A1 METHODS FOR TREATING NEUROPSYCHIATRIC DISORDERS WITH NMDA RECEPTOR ANTAGONISTS Neuromolecular Inc. (US) 2003-10-15 EP disclosed
WO-2002045710-A9 METHODS FOR TREATING NEUROPSYCHIATRIC DISORDERS WITH NMDA RECEPTOR ANTAGONISTS NEUROMOLECULAR INC (US) 2003-04-24 WO disclosed
WO-2002045710-A1 METHODS FOR TREATING NEUROPSYCHIATRIC DISORDERS WITH NMDA RECEPTOR ANTAGONISTS NEUROMOLECULAR INC. (US) 2002-06-13 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 (2 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-20040122090-A1 Methods for treating neuropsychiatric disorders with nmda receptor antagonists GRIN2A, GRIN1, GRIN3A SLC22A2 1503/4885SLC47A1 3045/4885MAPT 374/4885
US-20100137448-A1 Methods for Treating Neuropsychiatric Disorders with NMDA Receptor Antagonists GRIN2A, GRIN1, GRIN3A SLC22A2 1503/4885SLC47A1 3045/4885MAPT 374/4885

“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.