SCHEMBL576497

SCHEMBL576497

C=C(C)C[C@H]1CNC(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
SYK P43405 1/20 0.35
CD274 Q9NZQ7 4/20 0.32
PDCD1LG2 Q9BQ51 2/20 0.32
PDCD1 Q15116 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
GFER P55789 1/20 0.32
KMT2A Q03164 1/20 0.32
FEN1 P39748 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGB2 P05107 1/20 0.31
ITGB1 P05556 1/20 0.31

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
SCHEMBL6001939 1.00 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL14004149 0.82 SYK (0.35) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL14139681 0.79 SYK (0.32) SYKFEN1
SCHEMBL4532111 0.76 ITGB1 (0.50) SYKCD274PDCD1LG2MAPTFEN1
SCHEMBL2723878 0.76 ITGB1 (0.50) SYKCD274PDCD1LG2MAPTFEN1
SCHEMBL10681240 0.74 ITGB3 (0.35) SYKCD274PDCD1LG2PDCD1MAPT
SCHEMBL14031510 0.74 IRAK4 (0.37) SYKCD274PDCD1LG2PDCD1FEN1
SCHEMBL523230 0.74 BRD4 (0.50) PDE4APDE4BPDE4CPDE4DSYK
SCHEMBL22255165 0.73 CD274 (0.39) PDE4ASYKCD274PDCD1LG2PDCD1
Methacrylic Acid SCHEMBL28260006 0.73 HCAR2 (0.35) PDE4APDE4BPDE4CPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212072-B2 Process for the preparation of pregabalin Divi's Laboratories, Ltd. (IN) 2012-07-03 US claimed
US-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN DIVI'S LABORATORIES LIMITED (IN) 2012-02-16 US claimed
EP-2418194-A1 Process for the preparation of pregabalin Divi's Laboratories Limited (IN) 2012-02-15 EP claimed
US-8212072-B2 Process for the preparation of pregabalin Divi's Laboratories, Ltd. (IN) 2012-07-03 US disclosed
US-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN DIVI'S LABORATORIES LIMITED (IN) 2012-02-16 US disclosed
EP-2418194-A1 Process for the preparation of pregabalin Divi's Laboratories Limited (IN) 2012-02-15 EP 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-20120041212-A1 PROCESS FOR THE PREPARATION OF PREGABALIN GABRA5, GABRA6, GABRE PDE4A 2018/4885PDE4B 1720/4885PDE4C 1905/4885

“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.