SCHEMBL20214653

SCHEMBL20214653

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.50
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
NAMPT P43490 1/20 0.46
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 1/20 0.44
MGLL Q99685 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL24062105 0.88 NAMPT (0.44) GRM5NAMPTHPGDKDM4E
SCHEMBL20214414 0.86 SMN1; SMN2 (0.57) GRM5ALDH1A1CYP1A2CYP3A4NAMPT
SCHEMBL22915971 0.86 SLC6A7 (0.52) ALDH1A1NAMPTHPGDKDM4EMGLL
SCHEMBL22915969 0.86 HPGD (0.51) GRM5CYP3A4NAMPTHPGDKDM4E
SCHEMBL24062095 0.85 NAMPT (0.47) GRM5ALDH1A1NAMPTHPGDKDM4E
SCHEMBL22915890 0.85 KDM4E (0.47) GRM5NAMPTHPGDKDM4E
SCHEMBL24062103 0.84 HPGD (0.51) PKMNAMPTHPGDKDM4E
SCHEMBL22916012 0.83 ALDH1A1 (0.53) GRM5ALDH1A1HPGDL3MBTL1CA12
SCHEMBL22915942 0.82 GRM5 (0.50) GRM5ALDH1A1CYP1A2CYP3A4NAMPT
Oxalic Acid SCHEMBL6423881 0.82 NAMPT (0.44) GRM5ALDH1A1NAMPTHPGDKDM4E

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 3 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-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 GRM5 540/4885PKM 2708/4885ALDH1A1 2706/4885

“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.