SCHEMBL22915971

SCHEMBL22915971

O=C(c1cccc(-c2ccccc2)c1)N1CCc2[nH]cnc2C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.52
CDK4 P11802 7/20 0.49
CCND1 P24385 7/20 0.49
NAMPT P43490 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MGLL Q99685 1/20 0.44
FAAH O00519 1/20 0.43
NAAA Q02083 1/20 0.43
HTR2C P28335 1/20 0.43
BRD4 O60885 1/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 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
SCHEMBL22915967 0.90 MAPK1 (0.50) SLC6A7CDK4CCND1NAMPTKDM4E
SCHEMBL22915890 0.90 KDM4E (0.47) NAMPTKDM4EHTR2CHPGD
SCHEMBL20214653 0.86 GRM5 (0.50) NAMPTKDM4EMGLLHPGDALDH1A1
SCHEMBL20214414 0.86 SMN1; SMN2 (0.57) CDK4CCND1NAMPTKDM4EHPGD
SCHEMBL22915969 0.86 HPGD (0.51) CDK4CCND1NAMPTKDM4EHTR2C
SCHEMBL22915886 0.83 NAMPT (0.51) NAMPTKDM4EHTR2CHPGDALDH1A1
SCHEMBL22916012 0.83 ALDH1A1 (0.53) CDK4CCND1HPGDALDH1A1
SCHEMBL20214421 0.82 NAMPT (0.56) CDK4CCND1NAMPTKDM4EHTR2C
SCHEMBL22916015 0.81 POLB (0.57) NAMPTKDM4EHTR2CHPGDALDH1A1
SCHEMBL24062103 0.80 HPGD (0.51) NAMPTKDM4EHPGD

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 SLC6A7 2265/4885CDK4 4599/4885CCND1 3961/4885

“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.