SCHEMBL22001900

SCHEMBL22001900

CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)NC2

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
CHRNB2 P17787 4/20 0.42
CHRNA4 P43681 4/20 0.42
CHRNB4 P30926 3/20 0.42
CHRNA3 P32297 3/20 0.42
CHRNA7 P36544 3/20 0.42
KDM4E B2RXH2 2/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
HPGD P15428 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
RECQL P46063 1/20 0.38
EPHX1 P07099 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL22001901 1.00 NR1H2 (0.43) NR1H2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8102602 1.00 NR1H2 (0.43) NR1H2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL928993 0.86 CHRNB2 (0.54) NR1H2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3241502 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL25045229 0.81 CHRNB2 (0.48) NR1H2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL22169156 0.80 NR1H2 (0.50) NR1H2CHRNB2CHRNA4CHRNA3KDM4E
SCHEMBL608991 0.80 NR1H2 (0.50) NR1H2CHRNB2CHRNA4CHRNA3KDM4E
SCHEMBL24884312 0.80 NR1H2 (0.50) NR1H2CHRNB2CHRNA4CHRNA3KDM4E
SCHEMBL400513 0.80 NR1H2 (0.50) NR1H2CHRNB2CHRNA4CHRNA3KDM4E
SCHEMBL3236313 0.80 CHRNB2 (0.43) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 2 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

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 NR1H2 867/4885CHRNB2 356/4885CHRNA4 179/4885
US-20200140461-A1 SUBSTITUTED BRIDGED DIAZEPANE DERIVATIVES AND USE THEREOF AS TASK-1 AND TASK-3 INHIBITORS GRIN1, BET1, HRH1 NR1H2 742/4885CHRNB2 276/4885CHRNA4 148/4885

“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.