SCHEMBL5690573

SCHEMBL5690573

CCOC(=O)C=C1CC(Cc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 3/20 0.46
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
MAPK14 Q16539 3/20 0.42
HTR2B P41595 2/20 0.42
BCHE P06276 1/20 0.42
KDM4E B2RXH2 3/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
PPID Q08752 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL6013397 0.89 ESR2 (0.50) L3MBTL1MAPTESR2ALDH1A1CYP2C9
SCHEMBL6013398 0.89 ESR2 (0.50) L3MBTL1MAPTESR2ALDH1A1CYP2C9
SCHEMBL26649191 0.84 ESR2 (0.44) MAPTESR2ALDH1A1BCHE
SCHEMBL14127784 0.81 ESR2 (0.46) L3MBTL1MAPTESR2ALDH1A1BCHE
SCHEMBL4086500 0.78 KMT2A (0.44) L3MBTL1ESR2KMT2A
SCHEMBL22070710 0.77 HPGD (0.46) L3MBTL1MAPTESR2ALDH1A1MEN1
SCHEMBL21199846 0.77 ESR2 (0.46) MAPTESR2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30686540 0.75 HTR2C (0.51) ESR2CYP2C19RAB9ASMN1; SMN2
SCHEMBL1922424 0.75 KMT2A (0.42) L3MBTL1MAPTESR2BCHEKMT2A
SCHEMBL29240499 0.73 ESR2 (0.56) L3MBTL1MAPTESR2ALDH1A1BCHE

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
EP-1032555-B1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER LAMBERT CO (US) 2006-04-12 EP claimed
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN S (GB) 2005-07-21 US claimed
US-20030220397-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-11-27 US claimed
EP-1032555-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 2000-09-06 EP claimed
WO-1999021824-A1 CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF USEFUL AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO claimed
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-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
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
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
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 L3MBTL1 4806/4885MAPT 573/4885ESR2 3468/4885
US-20040180959-A1 Gabapentin analogues for fibromy algia and concomitant disorders PKD2, CACNA1S, CACNA1B L3MBTL1 4492/4885MAPT 2006/4885ESR2 3217/4885
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 L3MBTL1 4806/4885MAPT 573/4885ESR2 3468/4885

“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.