SCHEMBL21361478

SCHEMBL21361478

COc1cc(F)ccc1N1CCN(C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.49
DRD4 P21917 1/20 0.49
TSHR P16473 1/20 0.47
POLB P06746 1/20 0.47
HTR1A P08908 4/20 0.46
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
GFER P55789 1/20 0.45
SLC2A1 P11166 1/20 0.45
SLC2A3 P11169 1/20 0.45
MAPK1 P28482 2/20 0.45
DRD3 P35462 1/20 0.44
ALDH1A3 P47895 1/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL11719727 0.89 DRD2 (0.56) DRD2DRD4HTR1AALDH1A1L3MBTL1
SCHEMBL23102075 0.88 POLB (0.50) DRD2TSHRPOLBHTR1AALDH1A1
SCHEMBL7803381 0.83 L3MBTL1 (0.66) DRD2DRD4HTR1AALDH1A1L3MBTL1
SCHEMBL30407538 0.82 ALDH1A1 (0.55) DRD2DRD4TSHRHTR1AALDH1A1
SCHEMBL8828715 0.82 HTR1A (0.48) DRD2DRD4TSHRPOLBHTR1A
SCHEMBL12005695 0.82 NR4A1 (0.50) DRD2TSHRPOLBALDH1A1KMT2A
SCHEMBL21361431 0.81 DRD2 (0.51) DRD2DRD4TSHRHTR1AALDH1A1
SCHEMBL8137240 0.81 ALDH1A1 (0.46) DRD2HTR1AALDH1A1L3MBTL1KMT2A
SCHEMBL278126 0.81 DRD2 (0.67) DRD2TSHRPOLBHTR1AALDH1A1
SCHEMBL21361622 0.80 ALDH1A1 (0.45) ALDH1A1L3MBTL1HTR6KDM4ESMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765447-B1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2023-07-12 EP disclosed
US-11578055-B2 Triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors KEZAR LIFE SCIENCES (US) 2023-02-14 US disclosed
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-12-22 US disclosed
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2021-03-18 US disclosed
WO-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 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 (3 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-11578055-B2 Triazacyclododecansulfonamide (“TCD”)-based protein secretion inhibitors SEC61B, SEC61A1, SEC61G DRD2 2954/4885DRD4 4231/4885TSHR 727/4885
US-20220402891-A1 TRIAZACYCLODODECANSULFONAMIDE (TCD)-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G DRD2 3081/4885DRD4 4348/4885TSHR 976/4885
US-20210078974-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G DRD2 2649/4885DRD4 4056/4885TSHR 616/4885

“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.