SCHEMBL9265487

SCHEMBL9265487

CO[C@@H]1CNC[C@H]1NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.41
CHRNA4 P43681 4/20 0.41
CHRNB4 P30926 2/20 0.41
CHRNA3 P32297 2/20 0.41
CHRNA7 P36544 1/20 0.41
HTR3A P46098 1/20 0.39
HTR4 Q13639 1/20 0.39
MAPK1 P28482 1/20 0.38
BTK Q06187 3/20 0.34
SLC8A1 P32418 2/20 0.34
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 1/20 0.31
PRKCH P24723 1/20 0.31
PRKCE Q02156 1/20 0.31
PRKCD Q05655 1/20 0.31
LMNA P02545 1/20 0.31
ARG1 P05089 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
SCHEMBL21815413 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8740985 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL5127132 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8741015 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8741013 1.00 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20722633 0.87 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL9521425 0.86 HTR3A (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6216943 0.86 HTR3A (0.38) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL6211943 0.86 HTR3A (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL30738285 0.84 HTR3A (0.34) 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4405051-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-112204028-B tetrahydro-1H-pyrazino [2,1-a ] isoindoloquinoline compounds for use in the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed
EP-3802539-B1 TETRAHYDRO-1H-PYRAZINO[2,1-A]ISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-09-20 EP disclosed
EP-4182032-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2023-05-24 EP disclosed
WO-2023046806-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-03-30 WO disclosed
WO-2023025109-A1 TOLL-LIKE RECEPTOR INHIBITOR AND PREPARATION AND APPLICATION THEREOF 上海维申医药有限公司 2023-03-02 WO disclosed
WO-2022013136-A1 HYDROISOQUINOLINE OR HYDRONAPHTHYRIDINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2022-01-20 WO disclosed
US-20210371432-A1 Tetrahydro-1H-pyrazino[2,1-a]isoindolylquinoline Compounds for the Treatment of Autoimmune Disease HOFFMANN-LA ROCHE INC. (US) 2021-12-02 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-3802539-A1 TETRAHYDRO-1 H-PYRAZINO[2,1 -AJISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2021-04-14 EP disclosed
WO-2020064792-A1 HETEROCYCLYL COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2020-04-02 WO disclosed
WO-2019233941-A1 TETRAHYDRO-1 H-PYRAZINO[2,1 -AJISOINDOLYLQUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2019-12-12 WO disclosed
EP-2678329-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-11-18 EP disclosed
US-8889704-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-18 US disclosed
US-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-01-02 US disclosed
EP-2678329-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-01 EP disclosed
WO-2012154274-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-11-15 WO disclosed
US-5416096-A 7-(1-pyrrolidinyl)-3-quinolone carboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5059597-A Animal growth regulators; enterobacter BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed
US-4990517-A 7-(1-pyrrolidinyl)-3-quinolone- and -naphthyridonecarboxylic acid derivatives as antibacterial agents and feed additives BAYER AKTIENGESELLSCHAFT (DE) 1991-02-05 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-20140005213-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS PIM1, PIM2, PIM3 CHRNB2 3471/4885CHRNA4 3271/4885CHRNB4 3822/4885
US-20210371432-A1 Tetrahydro-1H-pyrazino[2,1-a]isoindolylquinoline Compounds for the Treatment of Autoimmune Disease HLA-DRB1, SSB, REN CHRNB2 3241/4885CHRNA4 2836/4885CHRNB4 3780/4885

“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.