SCHEMBL21516151

SCHEMBL21516151

O=C[C@@H]1C[C@H](Oc2ccccc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.45
SLC6A3 Q01959 4/20 0.45
SLC6A4 P31645 3/20 0.45
HRH1 P35367 2/20 0.43
HRH3 Q9Y5N1 1/20 0.40
HTR1A P08908 1/20 0.36
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
NAAA Q02083 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL7391749 1.00 SLC6A2 (0.45) SLC6A2SLC6A3SLC6A4HRH1HRH3
SCHEMBL12892328 0.82 SLC6A4 (0.52) SLC6A2SLC6A3SLC6A4HRH3EPHX2
SCHEMBL13693328 0.76 BCHE (0.43) HRH3NAAAEPHX2
SCHEMBL15798431 0.76 BCHE (0.43) HRH3NAAAEPHX2
SCHEMBL15730335 0.74 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4HRH1HRH3
SCHEMBL15730114 0.74 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4HRH1HRH3
SCHEMBL27000879 0.74 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4HRH1HRH3
SCHEMBL13584955 0.73 HRH3 (0.54) SLC6A2SLC6A3SLC6A4HRH1HRH3
SCHEMBL3448482 0.73 HRH3 (0.54) SLC6A2SLC6A3SLC6A4HRH1HRH3
SCHEMBL14555857 0.73 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4HRH1HRH3

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-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 US disclosed
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2019-10-24 US 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 (2 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-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 SLC6A2 3089/4885SLC6A3 4244/4885SLC6A4 3173/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 SLC6A2 3089/4885SLC6A3 4244/4885SLC6A4 3173/4885

“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.