SCHEMBL5690198

SCHEMBL5690198

CCOC(=O)C=C1CC[C@@H](C)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.54
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
ALOX15 P16050 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HCAR2 Q8TDS4 1/20 0.35
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5690194 1.00 ESR2 (0.54) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5690202 1.00 ESR2 (0.54) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL8335098 1.00 ESR2 (0.54) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7288906 0.90 ESR2 (0.60) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL15369698 0.86 ESR2 (0.48) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL11042278 0.85 ESR2 (0.52) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL11042279 0.85 ESR2 (0.52) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL11045272 0.83 ESR2 (0.46) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL28302940 0.79 ESR2 (0.60) ESR2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5690699 0.79 ESR2 (0.48) ESR2KDM4EALDH1A1HSD17B10HPGD

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
US-7122678-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER-LAMBERT COMPANY (US) 2006-10-17 US disclosed
EP-1032555-B1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2006-04-12 EP 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
EP-1572184-A1 GABAPENTIN ANALOGUES FOR FIBROMYALGIA AND OTHER RELATED DISORDERS WARNER-LAMBERT COMPANY (US) 2005-09-14 EP disclosed
US-6921835-B2 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents WARNER LAMBERT COMPANY (US) 2005-07-26 US disclosed
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN S (GB) 2005-07-21 US 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
CN-1170811-C Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy ��ʲ 2004-10-13 CN disclosed
US-20040180959-A1 Gabapentin analogues for fibromy algia and concomitant disorders DOOLEY DAVID JAMES (US) 2004-09-16 US disclosed
WO-2004054564-A1 GABAPENTIN ANALOGUES FOR FIBROMYALGIA AND OTHER RELATED DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2004-07-01 WO disclosed
US-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-27 US disclosed
US-6635673-B1 1-Aminomethyl-3,4-dimethyl-cyclopentyl acetic acid; epilepsy; neurodegenerative, neuropathological and gastrointestinal disorders; depression, anxiety, panic, pain WARNER-LAMBERT COMPANY 2003-10-21 US disclosed
CN-1344245-A Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy WARNER LAMBER CO (US) 2002-04-10 CN 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
EP-1032555-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-09-06 EP disclosed
WO-1999021824-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 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 (3 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-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 ESR2 3468/4885KDM4E 4338/4885ALDH1A1 3481/4885
US-20040180959-A1 Gabapentin analogues for fibromy algia and concomitant disorders PKD2, CACNA1S, CACNA1B ESR2 3217/4885KDM4E 3915/4885ALDH1A1 1165/4885
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 ESR2 3468/4885KDM4E 4338/4885ALDH1A1 3481/4885

“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.