SCHEMBL12464443

SCHEMBL12464443

CCOC1CCN(CCS(C)(=O)=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
CARM1 Q86X55 10/20 0.33
PRMT6 Q96LA8 10/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
TMEM97 Q5BJF2 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
DRD2 P14416 1/20 0.32
HCRTR2 O43614 1/20 0.32
HSD11B1 P28845 1/20 0.31
HRH1 P35367 2/20 0.31
KCNH2 Q12809 2/20 0.31
TLR9 Q9NR96 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 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
SCHEMBL27669184 0.85 HTR4 (0.37) NPC1ALDH1A1MAPK1CARM1PRMT6
SCHEMBL14951795 0.82 OPRM1 (0.35) ALDH1A1MAPK1HRH3HSD11B1KCNH2
SCHEMBL4569265 0.78 HRH3 (0.32) ALDH1A1MAPK1HRH3HRH1KCNH2
SCHEMBL29297567 0.78 HRH3 (0.32) ALDH1A1MAPK1HRH3
SCHEMBL12632806 0.78 KDM1A (0.35) ALDH1A1MAPK1CARM1PRMT6HRH3
SCHEMBL13967070 0.78 TLR9 (0.32) ALDH1A1MAPK1HRH3HCRTR2TLR9
SCHEMBL21579256 0.78 TLR9 (0.31) HRH3TLR9TLR8TLR7
SCHEMBL22477411 0.77 HRH3 (0.45) NPC1CARM1PRMT6HRH3SIGMAR1
SCHEMBL16106672 0.77 ALDH1A1 (0.36) ALDH1A1MAPK1CARM1PRMT6SIGMAR1
SCHEMBL12820177 0.77 DRD2 (0.34) ALDH1A1MAPK1PRMT6SIGMAR1DRD2

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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS NPC1 2050/4885ALDH1A1 2917/4885MAPK1 416/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B NPC1 2505/4885ALDH1A1 576/4885MAPK1 359/4885

“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.