SCHEMBL6377315

SCHEMBL6377315

CNCC1(CC(=O)O)CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
CYP1A2 P05177 2/20 0.57
USP2 O75604 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
BLM P54132 1/20 0.57
CACNA2D1 P54289 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 1/20 0.44
HSD11B1 P28845 1/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL13853687 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL20903815 0.82 TSHR (0.37) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL6377681 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL6378134 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL10064912 0.81 LMNA (0.40) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL25454247 0.81 ALDH1A1 (0.36) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL1746242 0.81 ALDH1A1 (0.53) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL2871721 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL98282 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL3421776 0.80 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
WO-2020122838-A2 A COMBINATION COMPRISING A MULTIPLE SCLEROSIS AGENT AND AT LEAST ONE ANTI-EPILEPTIC AGENT SANOVEL ILAC SANAYI VE TICARET ANONIM SIRKETI (TR) 2020-06-18 WO disclosed
US-9739780-B2 Metabolite biomarkers for the detection of liver cancer PURDUE RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-20170044095-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen, Inc. (CA) 2017-02-16 US disclosed
US-9481637-B2 Compounds for the treatment of seizures and other central nervous systems disorders and conditions Ketogen Inc. (CA) 2016-11-01 US disclosed
WO-2015184542-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen Inc. (CA) 2015-12-10 WO disclosed
US-20150344413-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS Ketogen Inc. (CA) 2015-12-03 US disclosed
US-9187427-B2 N-substituted nicotinamide compounds and compositions for the treatment migraine and neurologic diseases CELLIX BIO PRIVATE LIMITED (IN) 2015-11-17 US disclosed
US-20150152060-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT MIGRAINE AND NEUROLOGIC DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2015-06-04 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO disclosed
US-20080199887-A1 COMPOUNDS AND METHODS FOR USE IN DETECTING GABAPENTIN ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2008-08-21 US disclosed
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 disclosed
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 disclosed
WO-2004093780-A2 PROCESS FOR THE PREPARATION OF GABAPENTIN FORM-II MATRIX LABORATORIES LTD (IN) 2004-11-04 WO disclosed
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 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

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-20080199887-A1 COMPOUNDS AND METHODS FOR USE IN DETECTING GABAPENTIN GABRE, GABRG3, GABRB2 ALDH1A1 1863/4885CYP1A2 3525/4885USP2 2497/4885
US-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 ALDH1A1 3897/4885CYP1A2 1037/4885USP2 2160/4885
US-20150152060-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT MIGRAINE AND NEUROLOGIC DISEASES PSEN1, APP, PSEN2 ALDH1A1 3498/4885CYP1A2 498/4885USP2 4679/4885
US-20170044095-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS PC, PYGB, GLS2 ALDH1A1 640/4885CYP1A2 370/4885USP2 3434/4885
US-20150344413-A1 COMPOUNDS FOR THE TREATMENT OF SEIZURES AND OTHER CENTRAL NERVOUS SYSTEM DISORDERS AND CONDITIONS PC, PYGB, GLS2 ALDH1A1 640/4885CYP1A2 370/4885USP2 3434/4885

“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.