SCHEMBL20214656

SCHEMBL20214656

COc1ccc(C(=O)N2CCc3nc[nH]c3C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.54
HPGD P15428 1/20 0.51
HTR2C P28335 1/20 0.48
NPC1 O15118 1/20 0.48
CHRNB2 P17787 2/20 0.46
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
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
GAA P10253 1/20 0.45
SCN9A Q15858 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL22915934 0.90 HPGD (0.51) NAMPTHPGDNPC1CHRNB2CHRNB4
SCHEMBL20213867 0.87 CDK4 (0.56) NAMPTHPGDHTR2CDRD2DRD3
SCHEMBL20213921 0.84 NAMPT (0.72) NAMPTHTR2C
SCHEMBL20214405 0.84 NAMPT (0.57) NAMPTHPGDHTR2CSLC6A7POLB
SCHEMBL20214421 0.83 NAMPT (0.56) NAMPTHPGDHTR2C
SCHEMBL22916012 0.79 ALDH1A1 (0.53) HPGDDRD2DRD3CA1CA2
SCHEMBL22915902 0.78 KDM4E (0.48) NAMPTNPC1GAA
SCHEMBL22915968 0.78 MAPK1 (0.60) NAMPTHPGDNPC1POLBGAA
SCHEMBL22915970 0.76 POLB (0.55) NAMPTHPGDHTR2CSLC6A7POLB
SCHEMBL24229770 0.76 NAMPT (0.47) NAMPTHTR2CSCN9A

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 NAMPT 1158/4885HPGD 606/4885HTR2C 4491/4885

“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.