SCHEMBL30003724

SCHEMBL30003724

CN1CCOC(CN2CCOC(C(N)=O)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
SLC6A2 P23975 1/20 0.40
ACKR3 P25106 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
CCR2 P41597 3/20 0.35
KCNH2 Q12809 3/20 0.35
DRD3 P35462 1/20 0.34
IL1B P01584 1/20 0.33
P2RX7 Q99572 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
CYP11B2 P19099 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP19A1 P11511 1/20 0.31

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
SCHEMBL1515598 0.81 MAP4K4 (0.37) HRH3SLC6A2ACKR3IRAK4KCNH2
SCHEMBL16160608 0.81 MAP4K4 (0.37) HRH3SLC6A2ACKR3IRAK4KCNH2
SCHEMBL16160601 0.81 MAP4K4 (0.37) HRH3SLC6A2ACKR3IRAK4KCNH2
Hydrochloric Acid SCHEMBL28851422 0.79 OPRK1 (0.38) PDK1
Hydrochloric Acid SCHEMBL28851322 0.79 OPRK1 (0.38) PDK1
SCHEMBL18884697 0.77 SMN1; SMN2 (0.46) HRH3CCR2KCNH2DRD3GRN
SCHEMBL19884735 0.75 HRH3 (0.51) HRH3SLC6A2CCR2KCNH2
SCHEMBL30856536 0.74 TDP1 (0.41) DRD3GRNSORT1GRIN2BPDK1
SCHEMBL7911375 0.73 IRAK4 (0.39) HRH3SLC6A2ACKR3IRAK4DRD3
SCHEMBL23132818 0.73 SLC6A2 (0.42) HRH3SLC6A2ACKR3CCR2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363665-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2022-11-17 US claimed

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-20220363665-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE SSB, HLA-DRB1, NQO2 HRH3 5/4885SLC6A2 707/4885ACKR3 312/4885

“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.