SCHEMBL22915972

SCHEMBL22915972

O=C(c1cc(F)c(F)c(F)c1)N1CCc2[nH]cnc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.48
KDM4E B2RXH2 1/20 0.40
TACR3 P29371 1/20 0.38
POLB P06746 1/20 0.36
P2RX7 Q99572 4/20 0.35
GRM5 P41594 2/20 0.35
KCNH2 Q12809 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
HTR2C P28335 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24062105 0.83 NAMPT (0.44) NAMPTKDM4EPOLBP2RX7GRM5
SCHEMBL22915948 0.83 NAMPT (0.60) NAMPTKDM4EGRM5KCNH2GABRA1
SCHEMBL20214414 0.81 SMN1; SMN2 (0.57) NAMPTKDM4ETACR3GRM5KCNH2
SCHEMBL22915890 0.80 KDM4E (0.47) NAMPTKDM4EGRM5KCNH2HTR2C
SCHEMBL22915902 0.80 KDM4E (0.48) NAMPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL22915904 0.79 NAMPT (0.49) NAMPTKDM4EPOLBGRM5HPGD
SCHEMBL22916015 0.79 POLB (0.57) NAMPTKDM4EPOLBHTR2CALDH1A1
SCHEMBL22915942 0.78 GRM5 (0.50) NAMPTKDM4EPOLBP2RX7GRM5
SCHEMBL22915970 0.78 POLB (0.55) NAMPTKDM4ETACR3POLBGRM5
SCHEMBL24062095 0.78 NAMPT (0.47) NAMPTKDM4EPOLBGRM5ALDH1A1

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 NAMPT 1158/4885KDM4E 2159/4885TACR3 2723/4885

“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.