SCHEMBL6502999

SCHEMBL6502999

CCOC(=O)c1cn(C(=O)OC(C)(C)C)c2c1C(=O)CC(C)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
HPGD P15428 4/20 0.35
KDM4E B2RXH2 4/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL6302508 0.84 KDM4E (0.40) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6304493 0.84 ALDH1A1 (0.43) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6302258 0.83 ELANE (0.47) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6494368 0.83 POLB (0.47) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6302470 0.78 MEN1 (0.39) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6495764 0.77 L3MBTL1 (0.36) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6495890 0.74 MEN1 (0.41) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL6502233 0.73 CRHBP (0.42) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL6305908 0.71 BUB1 (0.38) MEN1KMT2AALDH1A1GPR119L3MBTL1
SCHEMBL6305834 0.71 ALDH1A1 (0.36) MEN1KMT2AALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861529-B2 Cycloalkylpyrrole-3-carboxylic acid amide derivatives and heterocycloalkylpyrrole-3-carboxylic acid amide derivatives that bind with high affinity to the benzodiazepine site of GABA-A (gamma-aminobutyric acid) receptors PFIZER INC (US) 2005-03-01 US disclosed
EP-1404316-A1 CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS Pfizer Products Inc. (US) 2004-04-07 EP disclosed
US-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives PFIZER INC. 2003-04-10 US disclosed
WO-2003004018-A1 CYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AND HETEROCYCLOALKYLPYRROLE-3-CARBOXYLIC ACID DERIVATIVES AS GABA-A RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2003-01-16 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 (1 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-20030069416-A1 Cycloalkylpyrrole-3-carboxylic acid derivatives and heterocycloalkylpyrrole-3-carboxylic acid derivatives GABARAP, GABRA3, GABRA2 MEN1 4449/4885KMT2A 2506/4885ALDH1A1 409/4885

“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.