SCHEMBL20224872

SCHEMBL20224872

CC1(O)CCN(C2CCCNC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.52
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NOS2 P35228 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
Hydrochloric Acid SCHEMBL17848465 0.98 HTR6 (0.50) HTR6ARG1ARG2HRH3SLC6A1
SCHEMBL4297939 0.89 HTR6 (0.46) HTR6ARG1ARG2
SCHEMBL4297941 0.89 HTR6 (0.46) HTR6ARG1ARG2
Hydrochloric Acid SCHEMBL31015209 0.86 HTR6 (0.52) HTR6ARG1ARG2HRH3AXL
SCHEMBL17692977 0.86 HRH3 (0.39) HTR6HRH3KCNH2
SCHEMBL31015303 0.81 HTR6 (0.55) HTR6ARG1ARG2HRH3SLC6A1
SCHEMBL2674343 0.81 HTR6 (0.33) HTR6
SCHEMBL13300973 0.78 HRH3 (0.43) HRH3KCNH2
SCHEMBL20744481 0.78 HTR6 (0.72) HTR6ARG1ARG2SLC6A1SLC6A11
SCHEMBL20744604 0.78 HTR6 (0.79) HTR6ARG1ARG2SLC6A1SLC6A11

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-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
US-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS THE BROAD INSTITUTE, INC. (US) 2018-06-07 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-20180155283-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, DRD3, ARRB1 HTR6 94/4885ARG1 4170/4885ARG2 1482/4885
US-20230143552-A1 DOPAMINE D2 RECEPTOR LIGANDS DRD2, SLC6A3, NTSR2 HTR6 97/4885ARG1 4695/4885ARG2 3152/4885

“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.