SCHEMBL22608970

SCHEMBL22608970

CC(C)(C)OC(=O)N1CCC(c2ccc3cn[nH]c3c2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 4/20 0.57
PIK3CD O00329 2/20 0.48
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
IDH1 O75874 1/20 0.47
PRMT5 O14744 1/20 0.47
HPGDS O60760 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 3/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
CCNK O75909 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
IGF1R P08069 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
SCHEMBL9952336 0.85 FASN (0.52) PDE4BPIK3CDIDO1TDO2HPGDS
SCHEMBL1016279 0.84 PIK3CD (0.50) PDE4BPIK3CDIDO1TDO2IDH1
SCHEMBL1016278 0.84 PIK3CD (0.50) PDE4BPIK3CDIDO1TDO2IDH1
SCHEMBL1016108 0.83 PIK3CD (0.49) PDE4BPIK3CDIDO1TDO2PRMT5
SCHEMBL1016106 0.83 PIK3CD (0.49) PDE4BPIK3CDIDO1TDO2PRMT5
SCHEMBL3328409 0.82 PIK3CD (0.49) PDE4BPIK3CDIDO1TDO2KDM4E
SCHEMBL22619203 0.79 PDE4B (0.60) PDE4BPRMT5HPGDSMAPTKDM4E
SCHEMBL22608982 0.79 PDE4B (0.57) PDE4BIDH1HPGDSMAPTKDM4E
SCHEMBL22608999 0.79 PDE4B (0.57) PDE4BPIK3CDIDH1PRMT5HPGDS
SCHEMBL25231595 0.78 KDM4E (0.49) PIK3CDIDO1TDO2PRMT5HPGDS

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 PDE4B 616/4885PIK3CD 838/4885IDO1 2303/4885

“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.