SCHEMBL22915949

SCHEMBL22915949

O=C(CCc1ccccc1)N1CCc2[nH]cnc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FKBP1A P62942 1/20 0.48
ALDH1A1 P00352 1/20 0.47
POLB P06746 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
ME2 P23368 2/20 0.45
ME1 P48163 2/20 0.45
ME3 Q16798 2/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NAAA Q02083 1/20 0.44
EP300 Q09472 1/20 0.44
CARM1 Q86X55 1/20 0.44
GRIN2B Q13224 1/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GFER P55789 1/20 0.43
MEN1 O00255 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
SCHEMBL6421007 0.91 TRPV1 (0.52) TSHRNAAAHPGDSMN1; SMN2
SCHEMBL20213870 0.90 NPC1 (0.51) NPC1TDP1FKBP1AALDH1A1POLB
SCHEMBL22916009 0.88 NPC1 (0.47) NPC1ALDH1A1ME2ME1ME3
SCHEMBL6423786 0.81 CACNA2D1 (0.47) TDP1HPGD
SCHEMBL6421762 0.80 KDR (0.49) NPC1ALDH1A1GRIN2BKMT2AHPGD
SCHEMBL6422364 0.78 CHRM2 (0.42) ALDH1A1POLBTSHRHPGDSMN1; SMN2
SCHEMBL22915890 0.78 KDM4E (0.47) HPGD
SCHEMBL4154205 0.78 ENPP2 (0.36) NPC1
SCHEMBL15492450 0.78 CREBBP (0.47) NPC1EP300
SCHEMBL20214639 0.78 ENPP2 (0.52) NPC1ALDH1A1ME2ME1ME3

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 NPC1 3805/4885TDP1 1740/4885FKBP1A 4780/4885

“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.