SCHEMBL19861407

SCHEMBL19861407

CCC(C)(C)CCN1CCN(CCOC)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GBA1 P04062 1/20 0.31
MAP4K4 O95819 1/20 0.31
MAOB P27338 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KDM1A O60341 1/20 0.30

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
SCHEMBL21015259 0.86 HRH3 (0.37) HSD11B1MAOBHRH3
SCHEMBL15183638 0.82 HSD11B1 (0.39) HSD11B1SLC6A4SLC6A3MEN1KMT2A
SCHEMBL24800863 0.79 CACNA1I (0.31)
SCHEMBL14330956 0.79 PKM (0.34) HSD11B1MEN1KMT2AKDM4EKDM1A
SCHEMBL20076499 0.79 DRD2 (0.38) MEN1KMT2A
SCHEMBL19573431 0.79 RAB9A (0.38) KDM4E
SCHEMBL4893194 0.78 HSD11B1 (0.47) HSD11B1MEN1KMT2AGBA1MAP4K4
SCHEMBL6057032 0.78
SCHEMBL8149011 0.78 HSD11B1 (0.47) HSD11B1MEN1KMT2AGBA1MAP4K4
SCHEMBL21348335 0.78 ALDH1A1 (0.42) MEN1KMT2AHRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 US disclosed
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 HSD11B1 190/4885SLC6A4 501/4885SLC6A3 1365/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 HSD11B1 237/4885SLC6A4 544/4885SLC6A3 1370/4885

“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.