SCHEMBL22915948

SCHEMBL22915948

O=C(c1ccc(F)cc1)N1CCc2[nH]cnc2C1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.60
GRM5 P41594 5/20 0.50
HSP90AB1 P08238 1/20 0.47
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRA2 P47869 1/20 0.43
HTR2B P41595 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL20213921 0.90 NAMPT (0.72) NAMPTGRM5HSP90AB1CDK4CCND1
SCHEMBL24062095 0.87 NAMPT (0.47) NAMPTGRM5HSP90AB1KDM4E
SCHEMBL22915970 0.87 POLB (0.55) NAMPTGRM5CDK4CCND1L3MBTL1
SCHEMBL22915890 0.86 KDM4E (0.47) NAMPTGRM5KCNH2KDM4E
SCHEMBL20214414 0.85 SMN1; SMN2 (0.57) NAMPTGRM5CDK4CCND1KCNH2
SCHEMBL22915967 0.85 MAPK1 (0.50) NAMPTCDK4CCND1L3MBTL1HTR2B
Oxalic Acid SCHEMBL6423881 0.84 NAMPT (0.44) NAMPTGRM5HSP90AB1KDM4E
SCHEMBL22915934 0.84 HPGD (0.51) NAMPTL3MBTL1GABRA1GABRA2
Oxalic Acid SCHEMBL6425330 0.83 MEN1 (0.47) NAMPTKCNH2
SCHEMBL22915972 0.83 NAMPT (0.48) NAMPTGRM5CDK4CCND1KCNH2

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 1158/4885GRM5 540/4885HSP90AB1 2007/4885

“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.