SCHEMBL22609016

SCHEMBL22609016

CC(C)(C)OC(=O)n1cc(CN2CCC(c3cccc(C(F)F)c3)C2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
ACHE P22303 1/20 0.40
ADAM17 P78536 1/20 0.39
HTR6 P50406 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
TPSAB1 Q15661 3/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4B Q07343 1/20 0.36
DRD2 P14416 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 0.88 L3MBTL1 (0.48) EPHX1L3MBTL1ACHEHTR6DRD2
SCHEMBL22609144 0.87 EPHX1 (0.48) EPHX1L3MBTL1ACHEADAM17HTR6
SCHEMBL22608964 0.84 MCHR1 (0.47) L3MBTL1
SCHEMBL22609012 0.84 EPHX1 (0.47) EPHX1L3MBTL1ACHEADAM17HTR6
SCHEMBL22619233 0.83 EPHX1 (0.45) EPHX1L3MBTL1ACHEADAM17HTR6
SCHEMBL22608996 0.83 EPHX1 (0.43) EPHX1L3MBTL1ACHEADAM17DRD2
SCHEMBL22609003 0.83 EPHX1 (0.44) EPHX1L3MBTL1ACHEADAM17HTR6
SCHEMBL22619069 0.82 L3MBTL1 (0.44) EPHX1L3MBTL1ACHEADAM17HTR6
SCHEMBL22608966 0.82 L3MBTL1 (0.44) EPHX1L3MBTL1ACHEADAM17DRD2
SCHEMBL22619209 0.81 L3MBTL1 (0.45) EPHX1L3MBTL1ACHEADAM17HTR6

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 5 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
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
CN-109956931-A Tetrahydropyrrole compound, preparation method, pharmaceutical composition and purposes 迈第康(上海)生物医药科技有限公司 2019-07-02 CN 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 3997/4885ACHE 597/4885

“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.