SCHEMBL22915876

SCHEMBL22915876

CC1c2nc[nH]c2CCN1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
GRM5 P41594 2/20 0.44
RAB9A P51151 1/20 0.41
ACHE P22303 1/20 0.40
TACR3 P29371 7/20 0.40
SIGMAR1 Q99720 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2C Q14957 1/20 0.38

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
SCHEMBL20852706 1.00 AOC3 (0.50) AOC3GRM5RAB9AACHETACR3
SCHEMBL7529041 0.79 AOC3 (0.61) AOC3RAB9ACYP2C19
SCHEMBL26053709 0.76 UBE2M (0.44) AOC3CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26052811 0.76 HTR2B (0.46) AOC3
SCHEMBL31698609 0.75 ALDH1A1 (0.42) AOC3GRM5RAB9AACHEKCNH2
SCHEMBL31699077 0.75 ALDH1A1 (0.42) AOC3GRM5RAB9AACHEKCNH2
SCHEMBL16035902 0.71 RAB9A (0.43) AOC3RAB9AACHESIGMAR1CYP2C19
SCHEMBL16036328 0.71 RAB9A (0.43) AOC3RAB9AACHESIGMAR1CYP2C19
SCHEMBL7534038 0.71 AOC3 (0.49) AOC3RAB9ASIGMAR1
SCHEMBL7571934 0.70 AOC3 (0.46) AOC3RAB9A

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 AOC3 3843/4885GRM5 540/4885RAB9A 533/4885

“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.