SCHEMBL22916009

SCHEMBL22916009

O=C(Cc1ccccc1)N1CCc2[nH]cnc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD11B1 P28845 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
ENPP2 Q13822 1/20 0.43
ME2 P23368 1/20 0.43
ME1 P48163 1/20 0.43
ME3 Q16798 1/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.42
KCNK3 O14649 1/20 0.42

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
SCHEMBL20214639 0.90 ENPP2 (0.52) NPC1KMT2ARAB9AUSP2GAA
SCHEMBL22915949 0.88 NPC1 (0.51) NPC1KMT2AL3MBTL1ALDH1A1ME2
SCHEMBL6421007 0.83 TRPV1 (0.52) ENPP2TSHR
SCHEMBL6423786 0.82 CACNA2D1 (0.47)
SCHEMBL6421762 0.81 KDR (0.49) NPC1KMT2ARAB9AGAAPTGDR2
SCHEMBL22915890 0.80 KDM4E (0.47) KDM4E
SCHEMBL4154205 0.80 ENPP2 (0.36) NPC1RAB9AKDM4EENPP2
SCHEMBL15492450 0.80 CREBBP (0.47) NPC1RAB9AKDM4EENPP2EP300
SCHEMBL1994788 0.79 NAMPT (0.38) KDM4EENPP2EP300
SCHEMBL22915917 0.79 MEN1 (0.51) NPC1KMT2ARAB9AGAAL3MBTL1

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 NPC1 3805/4885KMT2A 3341/4885RAB9A 533/4885

“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.