SCHEMBL20587386

SCHEMBL20587386

CC(C)(C)OC(=O)N1CCC2CCC(C1)N2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.48
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
HPGD P15428 1/20 0.46
GPR119 Q8TDV5 1/20 0.44
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
HSD11B1 P28845 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
USP30 Q70CQ3 2/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4694497 0.84 PREP (0.45) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL31209483 0.81 HPGD (0.48) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL5041372 0.81 HPGD (0.48) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL3760131 0.81 CHRM2 (0.60) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL21071183 0.81 HPGD (0.44) HPGDGPR119RECQLEPHX1JAK2
SCHEMBL2935196 0.79 HPGD (0.44) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL31208756 0.79 HPGD (0.46) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL5243300 0.78 USP2 (0.47) PREPCHRM2CHRM1CHRM3HPGD
SCHEMBL14196264 0.78 HPGD (0.51) PREPHPGDGPR119RECQLEPHX1
SCHEMBL13085760 0.78 HPGD (0.55) PREPHPGDGPR119RECQLEPHX1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-12-28 US disclosed
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-07 US disclosed
EP-3638676-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2020-04-22 EP disclosed
WO-2018228909-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-12-20 WO 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 (2 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-11208422-B2 Substituted bridged diazepane derivatives and use thereof as TASK-1 and TASK-3 inhibitors BET1, HRH1, GRIN1 PREP 897/4885CHRM2 576/4885CHRM1 47/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 PREP 876/4885CHRM2 506/4885CHRM1 45/4885

“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.