SCHEMBL22915978

SCHEMBL22915978

c1ccc(CCN2CCc3[nH]cnc3C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.47
SLC6A3 Q01959 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
GRM2 Q14416 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL20214115 0.89 HRH3 (0.47) HRH3SLC6A3SIGMAR1GRM2HTR1A
SCHEMBL22915965 0.86 ACHE (0.50) HRH3SIGMAR1DRD2
SCHEMBL550151 0.78 SIGMAR1 (0.50) HRH3SIGMAR1DRD2
SCHEMBL19347764 0.78 ALOX15 (0.40) HRH3DRD2
SCHEMBL20214402 0.76 REV1 (0.54) HRH3
SCHEMBL22915949 0.76 NPC1 (0.51)
SCHEMBL20214121 0.74 KDM4E (0.49) HRH3SIGMAR1DRD2
SCHEMBL31595892 0.74 DRD2 (0.43) DRD2
SCHEMBL12788182 0.74 HRH3 (0.39) HRH3
SCHEMBL20214655 0.73 HSP90AB1 (0.44) SIGMAR1

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 HRH3 2365/4885SLC6A3 4565/4885SIGMAR1 4708/4885

“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.