SCHEMBL21738844

SCHEMBL21738844

CCCOC(C1CCCCC1)C1CCCCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 12/20 0.41
SLC6A3 Q01959 12/20 0.41
SLC6A4 P31645 11/20 0.41
CYP2D6 P10635 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
MLNR O43193 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
FYN P06241 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 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
SCHEMBL16084898 0.87 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL19984325 0.81 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL18603188 0.81 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL19140629 0.80 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL16002889 0.78 SLC6A3 (0.43) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL19214891 0.76 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL18636881 0.76 SLC6A3 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL7918055 0.74 SLC6A3 (0.39) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL6437481 0.73 SHBG (0.46) SLC6A2SLC6A3SLC6A4CYP2D6MEN1
SCHEMBL16287560 0.73 SHBG (0.44) SLC6A2SLC6A3SLC6A4CYP2D6MEN1

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-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity SHIONOGI & CO., LTD. (JP) 2020-12-22 US disclosed
US-20200055873-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2020-02-20 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-20200055873-A1 NITROGEN-CONTAINING TRICYCLIC DERIVATIVES HAVING HIV REPLICATION INHIBITORY ACTIVITY NR4A3, CCR3, NCOA3 SLC6A2 1387/4885SLC6A3 400/4885SLC6A4 1326/4885
US-10870661-B2 Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity NR4A3, CCR3, NCOA3 SLC6A2 1387/4885SLC6A3 400/4885SLC6A4 1326/4885

“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.