Sugi Predict

Sugi Predict / Compounds / SCHEMBL22609003

SCHEMBL22609003

SCHEMBL22609003

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALOX12 P18054 1/20 0.42
▸ ADAM17 P78536 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ RXRA P19793 3/20 0.38
▸ NR1H2 P55055 3/20 0.38
▸ NR1H3 Q13133 3/20 0.38
▸ ACHE P22303 1/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ TGFBR1 P36897 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ HTR6 P50406 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
SCHEMBL22608966 0.93 L3MBTL1 (0.44) EPHX1L3MBTL1ALOX12ADAM17ACHE
SCHEMBL22608996 0.90 EPHX1 (0.43) EPHX1L3MBTL1ALOX12ADAM17ACHE
SCHEMBL22608964 0.89 MCHR1 (0.47) L3MBTL1
SCHEMBL22609026 0.88 ALOX12 (0.42) EPHX1L3MBTL1ALOX12ADAM17NR1H2
SCHEMBL22619233 0.88 EPHX1 (0.45) EPHX1L3MBTL1ALOX12ADAM17ACHE
SCHEMBL22619069 0.86 L3MBTL1 (0.44) EPHX1L3MBTL1ALOX12ADAM17ACHE
SCHEMBL22608969 0.86 L3MBTL1 (0.48) EPHX1L3MBTL1ACHEDRD2HTR6
SCHEMBL22609144 0.85 EPHX1 (0.48) EPHX1L3MBTL1ADAM17ACHEHDAC8
SCHEMBL22619061 0.84 EPHX1 (0.44) EPHX1L3MBTL1ALOX12ADAM17ACHE
SCHEMBL22609016 0.83 EPHX1 (0.46) EPHX1L3MBTL1ADAM17OPRM1ACHE

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
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
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 3997/4885ALOX12 2358/4885

“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.