SCHEMBL6356441

SCHEMBL6356441

COC(=O)C(C(=O)OC)=C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.35
SLC6A3 Q01959 4/20 0.35
ESR1 P03372 1/20 0.35
PGR P06401 1/20 0.35
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
AR P10275 1/20 0.35
CHRM1 P11229 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.33
GRIK1 P39086 2/20 0.33
SLC6A4 P31645 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL20573106 0.98 ALDH1A1 (0.35) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL29138432 0.79 SLC6A2 (0.38) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL13881363 0.77 GRIK1 (0.35) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL6047678 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL29138431 0.76 ALDH1A1 (0.39) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL20262411 0.76 KMT2A (0.49) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL3179017 0.76 MAPT (0.38) KMT2AALDH1A1GRIK1MAPTHPGD
SCHEMBL20262491 0.73 ADRA1A (0.47) SLC6A2SLC6A3ESR1PGRCHRM2
SCHEMBL3200633 0.73 MAPT (0.39) KMT2AALDH1A1MAPTHPGDLMNA
SCHEMBL6551852 0.73 GRIK1 (0.40) SLC6A2SLC6A3ESR1PGRCHRM2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN S 2005-11-10 US disclosed
EP-1311470-B1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2004-11-03 EP disclosed
US-20040023839-A1 Unsaturated esters and their use in fragance and flavour compositions GIVAUDAN SA (CH) 2004-02-05 US disclosed
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-06-26 US disclosed
EP-1311470-A1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS Givaudan SA (CH) 2003-05-21 EP disclosed
US-6489352-B2 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2002-12-03 US disclosed
WO-2002016307-A1 UNSATURATED ESTERS AND THEIR USE IN FRAGRANCE AND FLAVOUR COMPOSITIONS GIVAUDAN SA (CH) 2002-02-28 WO disclosed
EP-1182190-A1 Unsaturated esters Givaudan SA (CH) 2002-02-27 EP disclosed
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2002-02-14 US disclosed
US-6316638-B1 FOR THERAPY OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-11-13 US disclosed
EP-1082306-A1 CONFORMATIONALLY CONSTRAINED AMINO ACID COMPOUNDS HAVING AFFINITY FOR THE ALPHA2DELTA SUBUNIT OF A CALCIUM CHANNEL WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999061424-A1 CONFORMATIONALLY CONSTRAINED AMINO ACID COMPOUNDS HAVING AFFINITY FOR THE ALPHA2DELTA SUBUNIT OF A CALCIUM CHANNEL WARNER-LAMBERT COMPANY (US) 1999-12-02 WO disclosed
EP-0358092-B1 2-AZA-4-(ALKOXYCARBONYL)SPIRO-(4,5)DECAN-3-ONE LONZA A.G. (CH) 1991-12-11 EP disclosed
US-4958044-A 2-aza-4-(alkoxycarbonyl)spiro[4,5]-decan-3-one LONZA LTD. (CH) 1990-09-18 US disclosed
US-4956473-A ANTICONVULSANTS LONZA LTD. (CH) 1990-09-11 US disclosed
EP-0358092-A1 2-Aza-4-(alkoxycarbonyl)spiro-(4,5)decan-3-one LONZA A.G. (CH) 1990-03-14 EP 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 (4 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-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, GABRA6, GABRA2 SLC6A2 331/4885SLC6A3 348/4885ESR1 4862/4885
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 SLC6A2 715/4885SLC6A3 747/4885ESR1 4856/4885
US-20040023839-A1 Unsaturated esters and their use in fragance and flavour compositions ELOVL5, FFAR3, ELOVL1 SLC6A2 4463/4885SLC6A3 4389/4885ESR1 176/4885
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 SLC6A2 715/4885SLC6A3 747/4885ESR1 4856/4885

“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.