SCHEMBL26072

SCHEMBL26072

CC1(C)CCCC(CN)(CC(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
ALDH1A1 P00352 2/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
CACNA2D1 P54289 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 2/20 0.35
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL14459042 1.00 CYP1A2 (0.61) CYP1A2ALDH1A1USP2LMNATSHR
Hydrochloric Acid SCHEMBL6378810 0.98 CYP1A2 (0.59) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5443247 0.89 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5443250 0.89 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5443243 0.89 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL7823163 0.89 ALDH1A1 (0.48) CYP1A2ALDH1A1USP2LMNATSHR
Hydrochloric Acid SCHEMBL5691799 0.87 CYP1A2 (0.53) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL5440149 0.83 CYP1A2 (0.55) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL8287805 0.82 CYP1A2 (0.87) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL25224 0.81 CYP1A2 (0.53) 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 59 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
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-1157000-B1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER LAMBERT CO (US) 2005-11-02 EP claimed
CN-1626069-A Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of diabetic retinopathy WARNER LAMBERT CO (US) 2005-06-15 CN claimed
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs XENOPORT, INC. 2004-01-22 US claimed
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT 2003-09-18 US claimed
EP-1157000-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-11-28 EP claimed
EP-0888286-B1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed
WO-2001042191-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-06-14 WO claimed
US-6103932-A USEFUL AS AGENTS IN THE TREATMENT OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 2000-08-15 US claimed
EP-0888286-A1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-01-07 EP claimed
WO-1997033858-A1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-09-18 WO 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
WO-2001042191-A1 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF DIABETIC RETINOPATHY WARNER-LAMBERT COMPANY (US) 2001-06-14 WO disclosed
US-6103932-A USEFUL AS AGENTS IN THE TREATMENT OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 2000-08-15 US disclosed
EP-0888286-A1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-01-07 EP disclosed
WO-1997033858-A1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1997-09-18 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 (5 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-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-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.