SCHEMBL4796997

SCHEMBL4796997

CC(C)(C)OC(=O)N1CC(=O)N(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR2 Q92731 1/20 0.37
CTSK P43235 1/20 0.37
NR1H2 P55055 3/20 0.36
BUB1 O43683 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM1A O60341 1/20 0.36
BCHE P06276 1/20 0.36
HPGD P15428 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
SCHEMBL31218507 0.98 CHRM2 (0.44) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL3738925 0.86 CHRM2 (0.40) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL25422301 0.83 USP2 (0.47) USP2SMN1; SMN2ESR2NR1H2KDM4E
SCHEMBL6781974 0.83 HDAC1 (0.38) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL30872655 0.80 KDM4E (0.37) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL15200845 0.80 USP2 (0.41) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL17405125 0.80 MEN1 (0.47) USP2SMN1; SMN2ESR2CTSKNR1H2
SCHEMBL513188 0.79 USP2 (0.43) CHRM2CHRM1CHRM3USP2SMN1; SMN2
SCHEMBL7378278 0.78 USP2 (0.46) CHRM2CHRM1CHRM3HDAC1HDAC6
SCHEMBL84344 0.78 USP2 (0.46) CHRM2CHRM1CHRM3HDAC1USP2

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
EP-2134681-B1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NAT RECH SCIENT (FR) 2012-05-16 EP disclosed
US-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2010-04-22 US disclosed
US-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 2010-04-22 US disclosed
WO-2008125421-A1 TRANS-ANNULAR REARRANGEMENT OF ACTIVE LACTAMES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-10-23 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-20100099874-A1 TRANSANNULAR REARRANGEMENT OF ACTIVATED LACTAMS C9, RPS4Y1, C5 CHRM2 388/4885CHRM1 124/4885CHRM3 729/4885

“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.