Amantadine

Amantadine

SCHEMBL20409394

N[C@]12C[C@H]3C[C@@H](C[C@H](C3)C1)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BM

The experimentally established mechanism targets of Amantadine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 known ✓ Q05586 6/20 1.00
GRIN2A known ✓ Q12879 6/20 1.00
GRIN2D known ✓ O15399 5/20 1.00
GRIN3B known ✓ O60391 5/20 1.00
GRIN2B known ✓ Q13224 5/20 1.00
GRIN2C known ✓ Q14957 5/20 1.00
GRIN3A known ✓ Q8TCU5 5/20 1.00
LMNA P02545 4/20 1.00
SLC22A1 O15245 2/20 1.00
NFKB1 P19838 2/20 1.00
SLC22A2 O15244 2/20 1.00
SLC47A1 Q96FL8 2/20 1.00
TSHR P16473 1/20 1.00
STAT6 P42226 1/20 1.00
SIGMAR1 Q99720 1/20 1.00
THRB P10828 2/20 0.93
PMP22 Q01453 2/20 0.93
POLB P06746 1/20 0.93
BLM P54132 1/20 0.93
SMN1; SMN2 Q16637 1/20 0.93

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
Amantadine SCHEMBL15672299 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL21309814 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL4098 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL15532073 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL3642447 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL21310017 1.00 GRIN1 (1.00) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL23859927 0.96 GRIN1 (0.93) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL8996708 0.96 GRIN1 (0.93) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL17559292 0.96 GRIN1 (0.93) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
Amantadine SCHEMBL5569374 0.96 GRIN1 (0.93) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11723589-B2 Reversal of general anesthesia by administration of methylphenidate, amphetamine, modafinil, amantadine, and/or caffeine THE GENERAL HOSPITAL CORPORATION (US) 2023-08-15 US disclosed
US-20180207145-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DANIRIXIN FOR TREATING INFECTIOUS DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED 2018-07-26 US 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-11723589-B2 Reversal of general anesthesia by administration of methylphenidate, amphetamine, modafinil, amantadine, and/or caffeine ACHE, ADORA2A, COMT GRIN1 302/4885GRIN2A 126/4885GRIN2D 213/4885
US-20180207145-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DANIRIXIN FOR TREATING INFECTIOUS DISEASES DDOST, DHX30, DDX5 GRIN1 3638/4885GRIN2A 3672/4885GRIN2D 4328/4885

“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.