SCHEMBL22147809

SCHEMBL22147809

COc1ccc(N2CC[C@@](C)(c3ccccc3)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
MAPT P10636 2/20 0.47
HSD11B1 P28845 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
BACE1 P56817 1/20 0.44
BACE2 Q9Y5Z0 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
ADAM17 P78536 1/20 0.43
PGR P06401 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL22365621 1.00 MMP1 (0.48) MMP1MMP2MMP9MAPTHSD11B1
SCHEMBL22365575 0.92 MMP1 (0.47) MMP1MMP2MMP9MAPTHSD11B1
SCHEMBL22147742 0.89 MMP1 (0.43) MMP1MMP2MMP9MAPTHSD11B1
SCHEMBL22147883 0.88 HSD11B1 (0.46) MMP1MMP2MMP9HSD11B1SIGMAR1
SCHEMBL6733713 0.87 HSD11B1 (0.56) MMP1MMP2MMP9HSD11B1NPC1
SCHEMBL22147808 0.87 HSD11B1 (0.56) MMP1MMP2MMP9HSD11B1NPC1
SCHEMBL22365577 0.86 ALDH1A1 (0.43) MMP1MMP2MMP9MAPTHSD11B1
SCHEMBL22365574 0.86 MMP1 (0.44) MMP1MMP2MMP9HSD11B1NPC1
SCHEMBL22365592 0.84 MAPT (0.48) MAPTHSD11B1SIGMAR1NPC1PKM
SCHEMBL22365573 0.83 NOX4 (0.51) MMP1MMP2MMP9HSD11B1ADAM17

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
CN-119684193-A Synthesis method of five-membered lactam containing quaternary carbon chiral center through nickel-aluminum catalysis 南开大学 2025-03-25 CN 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-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

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 MMP1 4534/4885MMP2 4645/4885MMP9 4302/4885
US-20200199114-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 MMP1 4534/4885MMP2 4645/4885MMP9 4302/4885
US-20220119377-A1 GEM-DISUBSTITUTED PYRROLIDINES, PIPERAZINES, AND DIAZEPANES, AND COMPOSITIONS AND METHODS OF MAKING THE SAME GMNN, GRIA1, GRIA2 MMP1 4534/4885MMP2 4645/4885MMP9 4302/4885
US-11214568-B2 Gem-disubstituted pyrrolidines, piperazines, and diazepanes, and compositions and methods of making the same GMNN, GRIA1, GRIA2 MMP1 4534/4885MMP2 4645/4885MMP9 4302/4885

“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.