SCHEMBL3557212

SCHEMBL3557212

O=C(C1CNCC[N]1)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
CA2 P00918 1/20 0.37
CHKA P35790 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
ALDH1A1 P00352 3/20 0.34
DPP4 P27487 4/20 0.33
HSD11B1 P28845 1/20 0.33
HDAC2 Q92769 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
FAP Q12884 1/20 0.30

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
SCHEMBL3920347 0.98 HPGD (0.41) HPGDCA2CHKACHRNB2CHRNA3
SCHEMBL3552654 0.96 CHRNB2 (0.36) HPGDCA2CHKACHRNB2CHRNA3
SCHEMBL3559590 0.85 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1TSHR
SCHEMBL3921764 0.77 HPGD (0.41) HPGDCA2ALDH1A1
SCHEMBL3553205 0.74 PLAT (0.36) HPGDALDH1A1DPP4DPP8FAP
SCHEMBL2253230 0.73 SMYD3 (0.32)
SCHEMBL3060452 0.73 HPGD (0.48) HPGDALDH1A1HSD11B1TSHR
SCHEMBL3950467 0.72 HPGD (0.52) HPGDALDH1A1HSD11B1TSHR
SCHEMBL2915925 0.72
SCHEMBL2200249 0.72 HPGD (0.47) HPGDALDH1A1HSD11B1TSHR

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 25 patents — showing the first 20. 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 claimed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP claimed
EP-3826724-B1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-10-05 EP claimed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US claimed
EP-3856737-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-04 EP claimed
EP-3826724-A1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-06-02 EP claimed
WO-2020064792-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO claimed
WO-2020020800-A1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-01-30 WO claimed
US-11952363-B2 Piperazine compounds for the treatment of autoimmune disease HOFFMANN-LA ROCHE INC. (US) 2024-04-09 US disclosed
EP-3856737-B1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-05-17 EP disclosed
EP-3826724-B1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2022-10-05 EP disclosed
US-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2021-12-23 US disclosed
EP-3856737-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-08-04 EP disclosed
EP-3826724-A1 NOVEL PIPERAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-06-02 EP disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 US disclosed
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) MSD ITALIA S.R.L. (IT) 2009-07-09 US disclosed
EP-2032140-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 EP disclosed
EP-2029551-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2009-03-04 EP disclosed
WO-2007138351-A2 PYRIDINONE AND PYRIDAZINONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 WO disclosed
WO-2007138355-A1 PYRROLO[1,2-A]PYRAZIN-1(2H)-ONE AND PYRROLO[1,2-D][1,2,4]TRIAZIN-1(2H)-ONE DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE(PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-12-06 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 (4 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-20210395239-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, UACA HPGD 1192/4885CA2 584/4885CHKA 1247/4885
US-11952363-B2 Piperazine compounds for the treatment of autoimmune disease SSB, HLA-DRB1, IL5 HPGD 3486/4885CA2 1326/4885CHKA 1991/4885
US-20090176765-A1 Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp) PARP1, PARP2, PARP3 HPGD 787/4885CA2 4845/4885CHKA 1292/4885
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 HPGD 957/4885CA2 4599/4885CHKA 2280/4885

“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.