SCHEMBL5080768

SCHEMBL5080768

CCOC(=O)CC1(C[N+](=O)[O-])CC(C)C(C)C1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.32
TRPA1 O75762 1/20 0.32
LMNA P02545 2/20 0.31
MITF O75030 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5077870 1.00 MGAM (0.34) MGAMGAASIMGAM2KMT2A
SCHEMBL5690613 1.00 MGAM (0.34) MGAMGAASIMGAM2KMT2A
SCHEMBL28952925 0.87 KMT2A (0.32) MGAMGAASIMGAM2KMT2A
SCHEMBL14559623 0.86 KMT2A (0.33) MGAMGAASIMGAM2KMT2A
SCHEMBL8345214 0.86 KMT2A (0.33) MGAMGAASIMGAM2KMT2A
SCHEMBL5084419 0.86 MAPT (0.31) L3MBTL1
SCHEMBL8348269 0.84 KMT2A (0.35) MGAMGAASIMGAM2KMT2A
SCHEMBL14559595 0.84 ALDH1A1 (0.33) MGAMGAASIMGAM2KMT2A
SCHEMBL8347235 0.84 KMT2A (0.35) MGAMGAASIMGAM2KMT2A
SCHEMBL14559592 0.84 ALDH1A1 (0.33) MGAMGAASIMGAM2KMT2A

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 19 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 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
EP-1912936-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS Pharmacia & Upjohn Company LLC (US) 2008-04-23 EP disclosed
WO-2007010387-A2 STEREOSELECTIVE SYNTHESIS OF 3,4-DISUBSTITUTED CYCLOPENTANONES AND RELATED COMPOUNDS PHARMACIA & UPJOHN COMPANY LLC (US) 2007-01-25 WO disclosed
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
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
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 MGAM 3447/4885GAA 2383/4885SI 11/4885
US-20040180959-A1 Gabapentin analogues for fibromy algia and concomitant disorders PKD2, CACNA1S, CACNA1B MGAM 1970/4885GAA 900/4885SI 2764/4885
US-20050159487-A1 Cyclic amino acids and derivatives thereof useful as pharmaceutical agents APC, VIP, NPSR1 MGAM 3447/4885GAA 2383/4885SI 11/4885

“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.