SCHEMBL21649396

SCHEMBL21649396

COC(=O)CN1CCNCC1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
OPRD1 P41143 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
DPP4 P27487 1/20 0.31
SIGMAR1 Q99720 3/20 0.31
BRPF1 P55201 2/20 0.31
BRD4 O60885 1/20 0.31
BRD1 O95696 1/20 0.31
BRPF3 Q9ULD4 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL27893468 0.84 SMN1; SMN2 (0.41) KDM4ETSHRHRH3MEN1KMT2A
SCHEMBL30335980 0.83 CHRM5 (0.33) CHRM5CHRM3CHRNB2CHRNB4CHRNA3
SCHEMBL17152994 0.83 PLA2G10 (0.35) HRH3SIGMAR1
SCHEMBL5156687 0.81 SLC6A9 (0.41) DPP4HTR2C
SCHEMBL1666880 0.81 DPP4 (0.33) CHRM5CHRM3KDM4EDPP4SIGMAR1
Hydrochloric Acid SCHEMBL28060538 0.79 SLC6A9 (0.40) DPP4HTR2C
SCHEMBL5900537 0.79 DPP4 (0.32) CHRM5CHRM3DPP4
SCHEMBL30403488 0.78 GRM2 (0.35) KDM4EHTTSIGMAR1HTR2C
SCHEMBL29170258 0.78 GRM2 (0.35) KDM4EHTTSIGMAR1HTR2C
SCHEMBL29170253 0.78 GRM2 (0.35) KDM4EHTTSIGMAR1HTR2C

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
US-11952363-B2 Piperazine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2024-04-09 US disclosed
EP-3826724-B1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-10-05 EP disclosed
EP-3826724-B1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-10-05 EP disclosed
CN-112584903-A Novel piperazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-03-30 CN disclosed
WO-2020020800-A1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-01-30 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 (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-11952363-B2 Piperazine compounds for the treatment of autoimmune disease SSB, HLA-DRB1, IL5 CHRM5 1548/4885CHRM3 2135/4885CHRNB2 3921/4885

“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.