SCHEMBL18735261

SCHEMBL18735261

CC1CC2C[C@@H](C)CC(C(C)N)(C1)C2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 1/20 0.74
SLC47A1 Q96FL8 1/20 0.74
MAPT P10636 1/20 0.71
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
DPP4 P27487 2/20 0.34
EPHX2 P34913 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Rimantadine SCHEMBL20409367 0.85 SLC22A2 (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL2982 0.85 SLC22A2 (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL15532385 0.85 SLC22A2 (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL29908943 0.85 SLC22A2 (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL2981 0.85 SLC22A2 (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL40906 0.83 MAPT (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL28108817 0.83 MAPT (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL4366035 0.83 MAPT (1.00) SLC22A2SLC47A1MAPTNPC1ALDH1A1
Rimantadine SCHEMBL14973619 0.81 SLC22A2 (0.90) SLC22A2SLC47A1MAPTNPC1ALDH1A1
SCHEMBL21366556 0.81 SLC22A2 (0.48) SLC22A2SLC47A1MAPTGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170100385-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DANIRIXIN FOR TREATING INFECTIOUS DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2017-04-13 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 (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-20170100385-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING DANIRIXIN FOR TREATING INFECTIOUS DISEASES DDOST, DHX30, DDX5 SLC22A2 1616/4885SLC47A1 114/4885MAPT 2298/4885

“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.