SCHEMBL6502233

SCHEMBL6502233

CCOC(=O)c1cn(C(=O)OC(C)(C)C)c2c1C(=O)C1CN(Cc3ccccc3)CC1CC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.35
TRPC5 Q9UL62 1/20 0.34
PRMT1 Q99873 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL6302258 0.77 ELANE (0.47) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL6495890 0.75 MEN1 (0.41) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL6502999 0.73 MEN1 (0.39) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL6302470 0.72 MEN1 (0.39) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL6304493 0.70 ALDH1A1 (0.43) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL6302508 0.70 KDM4E (0.40) CRHBPCRHR2MEN1KMT2AALDH1A1
SCHEMBL6494368 0.69 POLB (0.47) MEN1KMT2AALDH1A1MAPK1LMNA
SCHEMBL18045299 0.68 USP30 (0.42) ACHEKMT2AL3MBTL1
SCHEMBL18070778 0.68 USP30 (0.42) ACHEKMT2AL3MBTL1
SCHEMBL6495764 0.68 L3MBTL1 (0.36) CRHBPCRHR2MEN1KMT2AALDH1A1

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 CRHBP 168/4885CRHR2 204/4885ACHE 2715/4885

“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.