SCHEMBL27727

SCHEMBL27727

NCC1(CC(=O)O)C2CCCC1CCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
CACNA2D1 P54289 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 7/20 0.41
PEPD P12955 1/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
GLRA1 P23415 1/20 0.31
SLC6A9 P48067 1/20 0.31
OR51E2 Q9H255 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL7861905 0.96 ALDH1A1 (0.44) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL26519 0.91 CYP1A2 (0.42) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5387718 0.79 HDAC3 (0.33)
SCHEMBL14459065 0.78 HSD11B1 (0.56) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL7865257 0.78 HSD11B1 (0.56) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5441916 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5456118 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL7403691 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5443318 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5441518 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1USP2LMNATSHR

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423169-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2008-09-09 US claimed
WO-2008011016-A2 TREATING GASTROESOPHAGEAL REFLUX DISEASE WITH 5-HT3- AND GABA RECEPTOR AGONISTS DYNOGEN PHARMACEUTICALS, INC. (US) 2008-01-24 WO claimed
US-7232924-B2 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. (US) 2007-06-19 US claimed
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2006-12-21 US claimed
EP-1554237-A4 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT INC (US) 2006-11-02 EP claimed
CN-1675165-A Method for synthesizing acyloxyalkyl derivatives of GABA analogs XENOPORT INC (US) 2005-09-28 CN claimed
EP-1554237-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS Xenoport, Inc. (US) 2005-07-20 EP claimed
US-20040248979-A1 Method of treating lower urinary tract disorders DYNOGEN PHARMACEUTICALS, INC. 2004-12-09 US claimed
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 US claimed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO claimed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US claimed
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2016-03-31 US disclosed
US-9238616-B2 Prodrugs of gaba analogs, compositions and uses thereof XENOPORT, INC. (US) 2016-01-19 US disclosed
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF ARBOR PHARMACEUTICALS, LLC 2015-10-29 US disclosed
US-20140135395-A1 GASTRIC RETENTIVE GABAPENTIN DOSAGE FORMS AND METHODS FOR USING SAME DEPOMED, INC. (US) 2014-05-15 US disclosed
WO-2003104184-A1 METHODS FOR SYNTHESIS OF ACYLOXYALKYL DERIVATIVES OF GABA ANALOGS XENOPORT, INC. (US) 2003-12-18 WO disclosed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US disclosed
US-20030083382-A1 Orally administered dosage forms of GABA analog prodrugs having reduced toxicity ARBOR PHARMACEUTICALS, LLC 2003-05-01 US disclosed
WO-2002100392-A1 ORALLY ADMINISTERED DOSAGE FORMS OF GABA ANALOG PRODRUGS HAVING REDUCED TOXICITY XENOPORT, INC. (US) 2002-12-19 WO disclosed
US-6310098-B1 PROVIDING GAMMA-BUTYRIC ACID, SALT OR ANALOG WHICH BINDS AN ALPHA2DELTA SUBUNIT OF A VOLTAGE-GATED CALCIUM CHANNEL AND ADMINISTERING ABOVE COMPOUND TO A PATIENT EXPERIENCING HOT FLASHES UNIVERSITY OF ROCHESTER 2001-10-30 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 (8 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-20040248979-A1 Method of treating lower urinary tract disorders RYR2, CACNA1S, CACNA1D CYP1A2 2011/4885ALDH1A1 987/4885USP2 691/4885
US-20160090353-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 CYP1A2 135/4885ALDH1A1 298/4885USP2 1727/4885
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 CYP1A2 1323/4885ALDH1A1 495/4885USP2 1225/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 CYP1A2 135/4885ALDH1A1 298/4885USP2 1727/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 CYP1A2 1323/4885ALDH1A1 495/4885USP2 1225/4885
US-20030083382-A1 Orally administered dosage forms of GABA analog prodrugs having reduced toxicity GABRB1, GABRB2, GABRB3 CYP1A2 75/4885ALDH1A1 37/4885USP2 2211/4885
US-20140135395-A1 GASTRIC RETENTIVE GABAPENTIN DOSAGE FORMS AND METHODS FOR USING SAME GABARAPL2, GABARAPL1, GABARAP CYP1A2 1635/4885ALDH1A1 1596/4885USP2 1104/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 CYP1A2 135/4885ALDH1A1 298/4885USP2 1727/4885

“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.