SCHEMBL22608969

SCHEMBL22608969

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
EPHX1 P07099 1/20 0.47
HTR6 P50406 1/20 0.46
DRD2 P14416 10/20 0.46
DRD3 P35462 9/20 0.46
DRD4 P21917 8/20 0.44
HTR1A P08908 7/20 0.44
DRD1 P21728 7/20 0.44
DRD5 P21918 7/20 0.44
ACHE P22303 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
NFKB1 P19838 1/20 0.40
PRCP P42785 1/20 0.40
EBP Q15125 1/20 0.40

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
SCHEMBL22609144 0.90 EPHX1 (0.48) L3MBTL1EPHX1HTR6ACHE
SCHEMBL22609016 0.88 EPHX1 (0.46) L3MBTL1EPHX1HTR6DRD2ACHE
SCHEMBL22608964 0.87 MCHR1 (0.47) L3MBTL1
SCHEMBL22609012 0.87 EPHX1 (0.47) L3MBTL1EPHX1HTR6ACHE
SCHEMBL22619233 0.86 EPHX1 (0.45) L3MBTL1EPHX1HTR6DRD2ACHE
SCHEMBL22609003 0.86 EPHX1 (0.44) L3MBTL1EPHX1HTR6DRD2ACHE
SCHEMBL22608966 0.85 L3MBTL1 (0.44) L3MBTL1EPHX1DRD2ACHE
SCHEMBL22619069 0.85 L3MBTL1 (0.44) L3MBTL1EPHX1HTR6DRD2ACHE
SCHEMBL22619209 0.84 L3MBTL1 (0.45) L3MBTL1EPHX1HTR6ACHE
SCHEMBL22608986 0.84 L3MBTL1 (0.46) L3MBTL1EPHX1HTR6ACHE

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
CN-111978294-A Preparation method of tetrahydropyrrole compound 迈第康(上海)生物医药科技有限公司 2020-11-24 CN 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 L3MBTL1 3997/4885EPHX1 4138/4885HTR6 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.