SCHEMBL22608993

SCHEMBL22608993

CC(C)(C)OC(=O)N1CCC(c2ccc(O)nc2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.54
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
HPGDS O60760 3/20 0.50
TP53 P04637 4/20 0.46
USP30 Q70CQ3 1/20 0.46
NAMPT P43490 1/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
WNT3A P56704 1/20 0.46
GPR119 Q8TDV5 2/20 0.46
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL19459088 0.94 HPGDS (0.51) PDE4BDDB1CRBNHPGDSTP53
SCHEMBL19459156 0.94 HPGDS (0.51) PDE4BDDB1CRBNHPGDSTP53
SCHEMBL19459090 0.94 HPGDS (0.51) PDE4BDDB1CRBNHPGDSTP53
SCHEMBL31639929 0.90 DDB1 (0.47) PDE4BDDB1CRBNHPGDSNAMPT
SCHEMBL20281909 0.88 PDE4B (0.54) PDE4BDDB1CRBNHPGDSTP53
SCHEMBL29743593 0.87 PDE4B (0.53) PDE4BDDB1CRBNHPGDSTP53
SCHEMBL30519935 0.87 PDE4B (0.53) PDE4BDDB1CRBNHPGDSTP53
SCHEMBL21504577 0.87 PDE4B (0.53) PDE4BDDB1CRBNHPGDSTP53
SCHEMBL610356 0.87 PDE4B (0.53) PDE4BDDB1CRBNHPGDSTP53
SCHEMBL608688 0.87 PDE4B (0.53) PDE4BDDB1CRBNHPGDSTP53

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
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

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 616/4885DDB1 4791/4885CRBN 3845/4885

“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.