SCHEMBL875227

SCHEMBL875227

CC(C)C(=O)OCCOC(=O)NCC1(CC(=O)O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
BLM P54132 1/20 0.41
CACNA2D1 P54289 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC18A2 Q05940 1/20 0.39
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
HSD11B1 P28845 2/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL598759 0.89 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL27612160 0.86 ALDH1A1 (0.44) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL17277085 0.86 ALDH1A1 (0.44) ALDH1A1CYP1A2TSHRUSP2LMNA
Gabapentin Enacarbil SCHEMBL977603 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRUSP2LMNA
Gabapentin Enacarbil SCHEMBL25455 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL875228 0.81 SLC18A2 (0.36) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL1746363 0.81 ALDH1A1 (0.45) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL24785 0.81 ALDH1A1 (0.40) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL828104 0.81 ALDH1A1 (0.40) ALDH1A1CYP1A2TSHRUSP2LMNA
SCHEMBL828002 0.81 ALDH1A1 (0.40) ALDH1A1CYP1A2TSHRUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1677767-A4 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG XENOPORT INC (US) 2008-03-05 EP claimed
EP-1677767-A2 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG Xenoport, Inc. (US) 2006-07-12 EP claimed
WO-2005089872-A2 TREATMENT OF LOCAL PAIN XENOPORT, INC. (US) 2005-09-29 WO claimed
WO-2005037784-A2 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG XENOPORT, INC. (US) 2005-04-28 WO claimed
US-20140302140-A1 GABA ANALOG PRODRUG SUSTAINED RELEASE ORAL DOSAGE FORMS HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2014-10-09 US disclosed
EP-2618820-A2 CONTROLLED RELEASE FORMULATIONS OF OPIOIDS Qrxpharma Limited (AU) 2013-07-31 EP disclosed
US-8299291-B2 Methods of synthesizing 1-(acyloxy)-alkyl carbamate prodrugs XENOPORT, INC. (US) 2012-10-30 US disclosed
WO-2012040651-A2 CONTROLLED RELEASE FORMULATIONS OF OPIOIDS QRxPharma Ltd. (AU) 2012-03-29 WO disclosed
EP-2403481-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG XenoPort, Inc. (US) 2012-01-11 EP disclosed
WO-2010102252-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG XENOPORT, INC. (US) 2010-09-10 WO disclosed
US-20100087667-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2010-04-08 US disclosed
WO-2010017504-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS XENOPORT, INC. (US) 2010-02-11 WO disclosed
EP-1677767-A4 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG XENOPORT INC (US) 2008-03-05 EP disclosed
US-20060257484-A1 Combination of tramadol and substances that comprise gabapentin JANSSEN PHARMACEUTICA N.V. 2006-11-16 US disclosed
EP-1677767-A2 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG Xenoport, Inc. (US) 2006-07-12 EP disclosed
WO-2005089872-A2 TREATMENT OF LOCAL PAIN XENOPORT, INC. (US) 2005-09-29 WO disclosed
WO-2005037784-A2 CRYSTALLINE FORM OF GAMMA-AMINOBUTYRIC ACID ANALOG XENOPORT, INC. (US) 2005-04-28 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-20100087667-A1 METHODS OF SYNTHESIZING 1-(ACYLOXY)-ALKYL CARBAMATE PRODRUGS CPS1, ASNS, NAAA ALDH1A1 772/4885CYP1A2 251/4885TSHR 2124/4885
US-20140302140-A1 GABA ANALOG PRODRUG SUSTAINED RELEASE ORAL DOSAGE FORMS GABRB1, GABRB2, GABRA1 ALDH1A1 144/4885CYP1A2 486/4885TSHR 3198/4885

“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.