SCHEMBL21726765

SCHEMBL21726765

CCC1(CC)CCN(CCc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.59
SIGMAR1 Q99720 4/20 0.58
ACHE P22303 1/20 0.56
DRD2 P14416 2/20 0.53
HTR1A P08908 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
HTR2A P28223 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
DRD1 P21728 1/20 0.51

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
SCHEMBL8970769 0.80 SLC6A3 (0.56) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL6056974 0.79 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL13150782 0.79 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL7264546 0.79 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL14407778 0.79 SLC6A3 (0.83) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL27638865 0.79 SLC6A3 (0.63) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL12668136 0.78 SLC6A3 (0.68) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL11742308 0.77 SLC6A3 (0.61) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL18838288 0.77 SLC6A3 (0.67) SLC6A3SIGMAR1ACHEDRD2HTR1A
SCHEMBL8970787 0.77 SLC6A3 (0.56) SLC6A3SIGMAR1ACHEDRD2HTR1A

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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses AFASCI, INC. (US) 2020-02-18 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 (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-10562857-B2 Ion channel inhibitory compounds, pharmaceutical formulations, and uses CACNA1I, CACNA1G, CACNA1H SLC6A3 226/4885SIGMAR1 1097/4885ACHE 287/4885

“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.