SCHEMBL21516355

SCHEMBL21516355

CC(=O)[C@@H]1CCc2[nH]cnc2CN1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
MMP8 P22894 2/20 0.33
MMP3 P08254 1/20 0.33
ADRA1A P35348 2/20 0.32
ADRA1D P25100 1/20 0.30

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
SCHEMBL21515924 0.85 HTR3A (0.38) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL20342231 0.84 HTR3A (0.34) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9582496 0.77 HTR3A (0.38) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9582692 0.77 HTR3A (0.38) HTR3AADRA2AADRA2BADRA2CSLC6A4
Hydrochloric Acid SCHEMBL9581714 0.75 HTR3A (0.37) HTR3AADRA2AADRA2BADRA2CSLC6A4
Hydrochloric Acid SCHEMBL9582939 0.75 HTR3A (0.37) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9581650 0.73 MMP8 (0.41) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9582609 0.73 MMP8 (0.41) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL13531413 0.73 HTR3A (0.42) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL13531389 0.73 HTR3A (0.42) HTR3AADRA2AADRA2BADRA2CSLC6A4

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 HTR3A 4267/4885ADRA2A 4643/4885ADRA2B 4422/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 HTR3A 4267/4885ADRA2A 4643/4885ADRA2B 4422/4885

“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.