SCHEMBL22608979

SCHEMBL22608979

CC(C)(C)OC(=O)N1CCC(c2cccc(O)c2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.58
DRD3 P35462 5/20 0.51
DRD2 P14416 3/20 0.51
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
DRD4 P21917 4/20 0.49
SIGMAR1 Q99720 3/20 0.49
HTR1A P08908 2/20 0.49
DRD1 P21728 2/20 0.49
DRD5 P21918 2/20 0.49
NFKB1 P19838 1/20 0.49
PRCP P42785 1/20 0.49
EBP Q15125 1/20 0.49
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL4031537 0.94 SIGMAR1 (0.54) PDE4BDRD3DRD2DRD4SIGMAR1
SCHEMBL30673157 0.92 NAMPT (0.54) PDE4BDRD3DRD2MAPTKDM4E
SCHEMBL1558412 0.92 NAMPT (0.54) PDE4BDRD3DRD2MAPTKDM4E
SCHEMBL12320994 0.88 GPR119 (0.59) PDE4BDRD3DRD2MAPTTP53
SCHEMBL29880399 0.88 GPR119 (0.59) PDE4BDRD3DRD2MAPTTP53
SCHEMBL31158869 0.86 PDE4B (0.57) PDE4BMAPTTP53KDM4ETHRB
SCHEMBL19865015 0.86 PDE4B (0.57) PDE4BMAPTTP53KDM4ETHRB
SCHEMBL31158950 0.86 PDE4B (0.57) PDE4BMAPTTP53KDM4ETHRB
SCHEMBL20531395 0.86 PDE4B (0.57) PDE4BMAPTTP53KDM4ETHRB
SCHEMBL528060 0.86 PDE4B (0.57) PDE4BMAPTTP53KDM4ETHRB

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 8 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
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
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
CN-1859914-A Phenyl pyrrolidine ether tachykinin receptor antagonists MERCK & CO INC (US) 2006-11-08 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 616/4885DRD3 38/4885DRD2 2/4885

“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.