SCHEMBL22609012

SCHEMBL22609012

CC(C)(C)OC(=O)n1cc(CN2CCC(c3ccc(F)c(O)c3)C2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HTR6 P50406 2/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.38
PIM1 P11309 1/20 0.38
MARK3 P27448 1/20 0.38
MAP4K2 Q12851 1/20 0.38
CAMK2B Q13554 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
ADAM17 P78536 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
PDE4B Q07343 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL22608969 0.87 L3MBTL1 (0.48) EPHX1L3MBTL1HTR6ACHE
SCHEMBL22609144 0.84 EPHX1 (0.48) EPHX1L3MBTL1HTR6ACHEMEN1
SCHEMBL22619209 0.84 L3MBTL1 (0.45) EPHX1L3MBTL1HTR6ACHEPDE10A
SCHEMBL22609016 0.84 EPHX1 (0.46) EPHX1L3MBTL1HTR6ACHEMEN1
SCHEMBL22608986 0.83 L3MBTL1 (0.46) EPHX1L3MBTL1HTR6ACHEPDE10A
SCHEMBL22619122 0.82 EPHX1 (0.45) EPHX1L3MBTL1HTR6ACHEMEN1
SCHEMBL22609001 0.82 EPHX1 (0.43) EPHX1L3MBTL1HTR6ACHEPDE10A
SCHEMBL22608964 0.81 MCHR1 (0.47) L3MBTL1
SCHEMBL22619219 0.81 L3MBTL1 (0.42) EPHX1L3MBTL1HTR6ACHEMEN1
SCHEMBL22619233 0.81 EPHX1 (0.45) EPHX1L3MBTL1HTR6ACHEPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109956931-B Tetrahydropyrrole compound, preparation method thereof, pharmaceutical composition and application thereof 迈第康(上海)生物医药科技有限公司 2021-07-16 CN disclosed
US-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF MEDICONNS SHANGHAI BIOPHARMACEUTICAL CO LTD (CN) 2021-01-28 US disclosed
EP-3733670-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF Mediconns (Shanghai) Biopharmaceutical Co., Ltd (CN) 2020-11-04 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-20210024498-A1 TETRAHYDROPYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF PRLHR, DRD2, AVPR2 EPHX1 4138/4885L3MBTL1 3997/4885HTR6 59/4885

“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.