SCHEMBL26454

SCHEMBL26454

CC(C)(C)C1CCC(CN)(CC(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
CYP1A2 P05177 3/20 0.55
LMNA P02545 2/20 0.55
USP2 O75604 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
CACNA2D1 P54289 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LIPA P38571 1/20 0.36
EPHX1 P07099 1/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 2/20 0.31
GLA P06280 1/20 0.30
HSD11B1 P28845 1/20 0.30
ATM Q13315 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
SCHEMBL5441544 0.90 CYP1A2 (0.47) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5446701 0.90 CYP1A2 (0.47) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5443233 0.90 CYP1A2 (0.47) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5438681 0.90 CYP1A2 (0.47) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5438684 0.90 CYP1A2 (0.47) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5443237 0.90 CYP1A2 (0.47) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5438689 0.90 CYP1A2 (0.47) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL9261087 0.89 CYP1A2 (0.46) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL13423979 0.85 CYP1A2 (0.40) ALDH1A1CYP1A2LMNAUSP2TSHR
SCHEMBL5433002 0.82 CYP1A2 (0.48) ALDH1A1CYP1A2LMNAUSP2TSHR

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 55 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
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-0888286-B1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2001-10-31 EP 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
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2013-04-25 US disclosed
US-8367722-B2 Methods of using prodrugs of pregabalin XENOPORT, INC. (US) 2013-02-05 US 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
EP-0888286-B1 NOVEL SUBSTITUTED CYCLIC AMINO ACIDS AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2001-10-31 EP 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 (7 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 ALDH1A1 298/4885CYP1A2 135/4885LMNA 3012/4885
US-20040014940-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CYP1A2 1323/4885LMNA 4143/4885
US-20150307442-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885LMNA 3012/4885
US-20060287250-A1 Methods for synthesis of acyloxyalkyl derivatives of GABA analogs GABRB1, GABRB3, GABBR1 ALDH1A1 495/4885CYP1A2 1323/4885LMNA 4143/4885
US-20130102641-A1 PRODRUGS OF GABA ANALOGS, COMPOSITIONS AND USES THEREOF GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885LMNA 3012/4885
US-20030083382-A1 Orally administered dosage forms of GABA analog prodrugs having reduced toxicity GABRB1, GABRB2, GABRB3 ALDH1A1 37/4885CYP1A2 75/4885LMNA 3884/4885
US-20030176398-A1 Prodrugs of GABA analogs, compositions and uses thereof GABRB1, GABRB2, GABRB3 ALDH1A1 298/4885CYP1A2 135/4885LMNA 3012/4885

“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.