SCHEMBL20213921

SCHEMBL20213921

O=C(c1ccc(F)cc1)N1CCc2nc[nH]c2C1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.72
GRM5 P41594 5/20 0.49
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49
HSP90AB1 P08238 1/20 0.49
HTR2C P28335 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL22915948 0.90 NAMPT (0.60) NAMPTGRM5CDK4CCND1HSP90AB1
SCHEMBL20214405 0.87 NAMPT (0.57) NAMPTHSP90AB1HTR2CKDM4E
SCHEMBL20214421 0.86 NAMPT (0.56) NAMPTGRM5CDK4CCND1HTR2C
SCHEMBL17195793 0.85 NAMPT (1.00) NAMPT
SCHEMBL20214656 0.84 NAMPT (0.54) NAMPTHTR2C
SCHEMBL20214414 0.78 SMN1; SMN2 (0.57) NAMPTGRM5CDK4CCND1KDM4E
SCHEMBL13505458 0.77 NAMPT (0.48) NAMPTHTR2CKDM4E
SCHEMBL24062095 0.76 NAMPT (0.47) NAMPTGRM5HSP90AB1KDM4E
SCHEMBL22915970 0.76 POLB (0.55) NAMPTGRM5CDK4CCND1HTR2C
SCHEMBL20213867 0.76 CDK4 (0.56) NAMPTGRM5CDK4CCND1HTR2C

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 1158/4885GRM5 540/4885CDK4 4599/4885

“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.