SCHEMBL880674

SCHEMBL880674

C[N+](C)(C)CC(O[Si](C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
TSHR P16473 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
TBXA2R P21731 1/20 0.36
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
CYP2C9 P11712 1/20 0.35
GALR3 O60755 1/20 0.35
BLM P54132 1/20 0.35
SLC22A16 Q86VW1 1/20 0.33
CYP1A2 P05177 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HRH1 P35367 1/20 0.32
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31

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
SCHEMBL10476486 0.76 SMN1; SMN2 (0.43) CHRM1SMN1; SMN2CHRM3HRH1
SCHEMBL8908361 0.74 TDP1 (0.39) MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL18553848 0.72 MAPT (0.39) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL13484720 0.71 MAPT (0.38) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL10935348 0.68 MEN1 (0.44) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL10011407 0.68 GRIK1 (0.41)
SCHEMBL10011889 0.68 GRIK1 (0.41)
SCHEMBL8818728 0.68 GPR84 (0.47) MAPT
SCHEMBL8909706 0.66 SLC1A3 (0.40) TSHRLMNAALDH1A1RECQL
SCHEMBL7704000 0.66 SLC1A3 (0.40) TSHRLMNAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2433655-A2 Homoarginine-prodrugs of amphetamine Kempharm, Inc. (US) 2012-03-28 EP disclosed
EP-2433654-A2 Citrulline and homocitrulline prodrugs of amphetamines and processes for making and using the same Kempharm, Inc. (US) 2012-03-28 EP disclosed
US-8101661-B2 Polar hydrophilic prodrugs and non-standard amino acid conjugates of amphetamine and other stimulants and processes for making and using the same KEMPHARM, INC. (US) 2012-01-24 US disclosed
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2011-09-01 US disclosed
US-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SHIRE LLC 2010-11-18 US disclosed
WO-2008098151-A2 POLAR HYDROPHILIC PRODRUGS OF AMPHETAMINE AND OTHER STIMULANTS AND PROCESSES FOR MAKING AND USING THE SAME KEMPHARM, INC. (US) 2008-08-14 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-20100292337-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A2, SLC6A3, SLC18A2 MAPT 1339/4885TSHR 1575/4885CHRM2 82/4885
US-20110213034-A1 Polar Hydrophilic Prodrugs of Amphetamine and Other Stimulants and Processes for Making and Using the Same SLC6A3, SLC6A2, SLC6A15 MAPT 713/4885TSHR 2465/4885CHRM2 316/4885

“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.