SCHEMBL22127635

SCHEMBL22127635

COc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
KDM4E B2RXH2 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
SCHEMBL22127506 0.89 MAPT (0.61) MAPTKDM4EMEN1KMT2ACYP1A2
SCHEMBL22127628 0.86 MEN1 (0.48) KDM4EMEN1KMT2AGPR119NR1H2
SCHEMBL28494646 0.83 MEN1 (0.67) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1665532 0.80 ALDH1A1 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL25422301 0.80 USP2 (0.47) MAPTKDM4EMEN1KMT2ATHRB
SCHEMBL2262766 0.77 CYP3A4 (0.52) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13793654 0.77 MEN1 (0.49) KDM4EMEN1KMT2ACYP1A2BLM
SCHEMBL18153357 0.76 MMP2 (0.58) MAPTKDM4EALDH1A1GPR119STS
SCHEMBL22127556 0.75 ALDH1A1 (0.44) MAPTKDM4EMEN1KMT2ACYP1A2
SCHEMBL29608054 0.75 MAPT (0.44) MAPTKDM4EMEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-07 US disclosed
US-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-07-07 US disclosed
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-04-21 US disclosed
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2022-04-21 US disclosed
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-01-04 US disclosed
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-01-04 US disclosed
EP-3699173-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME California Institute of Technology (US) 2020-08-26 EP disclosed
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-06-25 US disclosed
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-06-25 US 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 (4 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-20220213081-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 MAPT 2373/4885KDM4E 988/4885MEN1 1769/4885
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 MAPT 2373/4885KDM4E 988/4885MEN1 1769/4885
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 MAPT 2373/4885KDM4E 988/4885MEN1 1769/4885
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same GMNN, GRIA1, GRIA2 MAPT 2373/4885KDM4E 988/4885MEN1 1769/4885

“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.