SCHEMBL20213912

SCHEMBL20213912

c1cc(CN2CCc3[nH]cnc3C2)cc(N2CCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
TP53BP1 Q12888 1/20 0.44
AGXT P21549 1/20 0.41
PRMT6 Q96LA8 2/20 0.40
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
DRD4 P21917 1/20 0.37
HRH1 P35367 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
IP6K1 Q92551 1/20 0.36
IP6K3 Q96PC2 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL22915965 0.81 ACHE (0.50) SIGMAR1DRD4DRD2DRD3KDM4E
SCHEMBL22915892 0.79 KMT2A (0.55) TMEM97SIGMAR1DRD4HTR2BDRD2
SCHEMBL22915891 0.76 CD44 (0.39) DRD4KDM4EALDH1A1GLAGAA
SCHEMBL20213794 0.76 MEN1 (0.50) SIGMAR1DRD4DRD2SMN1; SMN2
SCHEMBL20214655 0.75 HSP90AB1 (0.44) SIGMAR1KDM4EALDH1A1GLAGAA
SCHEMBL20213815 0.74 ALDH1A1 (0.51) KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL20213759 0.73 CYP2D6 (0.49) ADRA2AADRA2BDRD4HTR2BDRD2
SCHEMBL20214402 0.72 REV1 (0.54) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL550151 0.72 SIGMAR1 (0.50) SIGMAR1DRD4DRD2DRD3KDM4E
SCHEMBL22915978 0.71 HRH3 (0.47) SIGMAR1DRD2

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-11186572-B2 Bacterial glutaminyl cyclases and inhibitors thereof for use in the treatment of periodontitis FRAUNHOFER-GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG E.V. (DE) 2021-11-30 US disclosed
EP-3548613-B1 BACTERIAL GLUTAMINYL CYCLASE INHIBITORS AND USE THEREOF IN THE TREATMENT OF PERIODONTITIS FRAUNHOFER GES FORSCHUNG (DE) 2021-01-27 EP disclosed
EP-3548613-A1 BACTERIAL GLUTAMINYL CYCLASES AND INHIBITORS THEREOF FOR USE IN THE TREATMENT OF PERIODONTITIS Fraunhofer Gesellschaft zur Förderung der Angewand (DE) 2019-10-09 EP disclosed
WO-2018100159-A1 BACTERIAL GLUTAMINYL CYCLASES AND INHIBITORS THEREOF FOR USE IN THE TREATMENT OF PERIODONTITIS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2018-06-07 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-11186572-B2 Bacterial glutaminyl cyclases and inhibitors thereof for use in the treatment of periodontitis GMPS, QPCT, GLS L3MBTL3 4617/4885L3MBTL1 3855/4885MBTD1 1120/4885

“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.