SCHEMBL22608974

SCHEMBL22608974

CC(C)(C)OC(=O)N1CCC(c2cccc3[nH]ncc23)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
HPGDS O60760 3/20 0.48
TRPV1 Q8NER1 3/20 0.45
PDE4B Q07343 1/20 0.45
JAK2 O60674 2/20 0.44
JAK1 P23458 2/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
CCNK O75909 1/20 0.44
CDK12 Q9NYV4 1/20 0.44
PARP1 P09874 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
PIK3CD O00329 1/20 0.42
CDK8 P49336 1/20 0.42
CLK4 Q9HAZ1 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
SCHEMBL6490817 0.82 PIK3CD (0.49) IDO1TDO2PDE4BPARP1PIK3CD
SCHEMBL17739153 0.79 CREBBP (0.56) TRPV1PARP1KDM4ECDK8CLK4
SCHEMBL24209513 0.79 HPGDS (0.47) IDO1TDO2HPGDSPDE4BJAK2
SCHEMBL22608960 0.79 HPGDS (0.50) HPGDSPDE4BJAK2JAK1TYK2
SCHEMBL22608961 0.78 L3MBTL1 (0.44) IDO1TDO2TRPV1
SCHEMBL31295106 0.78 HPGDS (0.49) HPGDSPDE4BJAK2JAK1TYK2
SCHEMBL26911627 0.78 HPGDS (0.49) HPGDSPDE4BJAK2JAK1TYK2
SCHEMBL14181451 0.77 KDM4E (0.63) HPGDSPDE4BJAK2JAK1KDM4E
SCHEMBL3436375 0.77 HSD11B1 (0.54) HPGDSTRPV1PDE4BJAK2JAK1
SCHEMBL22608970 0.77 PDE4B (0.57) IDO1TDO2HPGDSPDE4BCCNK

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-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
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 IDO1 2303/4885TDO2 2008/4885HPGDS 3269/4885

“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.