SCHEMBL20213867

SCHEMBL20213867

COc1cccc(C(=O)N2CCc3nc[nH]c3C2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.56
CCND1 P24385 2/20 0.56
GRM5 P41594 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
NAMPT P43490 1/20 0.52
HTR2C P28335 1/20 0.51
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
PDE4B Q07343 1/20 0.49
KDR P35968 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL22916012 0.92 ALDH1A1 (0.53) CDK4CCND1GRM5ALDH1A1HPGD
SCHEMBL20214656 0.87 NAMPT (0.54) HPGDNAMPTHTR2CDRD2DRD3
SCHEMBL20214421 0.83 NAMPT (0.56) CDK4CCND1GRM5HPGDNAMPT
SCHEMBL22915902 0.80 KDM4E (0.48) ALDH1A1NAMPT
SCHEMBL20214648 0.80 KMT2A (0.47) CDK4CCND1GRM5ALDH1A1HPGD
SCHEMBL22915934 0.78 HPGD (0.51) ALDH1A1HPGDL3MBTL1NAMPTPDE4B
SCHEMBL22915969 0.77 HPGD (0.51) CDK4CCND1GRM5HPGDL3MBTL1
SCHEMBL20214405 0.76 NAMPT (0.57) ALDH1A1HPGDNAMPTHTR2CKMT2A
SCHEMBL20213921 0.76 NAMPT (0.72) CDK4CCND1GRM5L3MBTL1NAMPT
SCHEMBL22916019 0.76 KDM4E (0.41) GRM5ALDH1A1NAMPT

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 CDK4 4599/4885CCND1 3961/4885GRM5 540/4885

“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.