SCHEMBL22915934

SCHEMBL22915934

COc1ccc(C(=O)N2CCc3[nH]cnc3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.48
SLC6A7 Q99884 1/20 0.46
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.45
GPR183 P32249 1/20 0.45
POLB P06746 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNB4 P30926 1/20 0.45
CHRNA3 P32297 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
GAA P10253 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 2/20 0.45
GRM3 Q14832 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL20214656 0.90 NAMPT (0.54) HPGDNPC1SLC6A7DRD2DRD3
SCHEMBL22915902 0.88 KDM4E (0.48) NPC1GAANAMPTALDH1A1
SCHEMBL22916012 0.86 ALDH1A1 (0.53) HPGDDRD2DRD3CA1CA2
SCHEMBL22915970 0.86 POLB (0.55) HPGDSLC6A7POLBNAMPTGABRA1
SCHEMBL22915968 0.85 MAPK1 (0.60) HPGDNPC1POLBGAANAMPT
Hydrochloric Acid SCHEMBL6422834 0.84 HRH3 (0.47) NPC1NAMPTPDE4BPDE4D
SCHEMBL24062095 0.84 NAMPT (0.47) HPGDSLC6A7POLBCA1CA2
SCHEMBL22915948 0.84 NAMPT (0.60) NAMPTGABRA1GABRA2L3MBTL1
SCHEMBL22915890 0.83 KDM4E (0.47) HPGDNAMPT
SCHEMBL22916019 0.83 KDM4E (0.41) NPC1GAANAMPTALDH1A1

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-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

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 HPGD 606/4885NPC1 3805/4885SLC6A7 2265/4885

“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.