SCHEMBL1906248

SCHEMBL1906248

CN1CCN(C(=O)CN2CCNCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
BIRC2 Q13490 1/20 0.46
CHRM5 P08912 2/20 0.46
CHRM3 P20309 2/20 0.46
PHGDH O43175 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
CYP1A2 P05177 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTR1A P08908 1/20 0.39

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
SCHEMBL4000321 0.93 GAA (0.50) GAATSHRALOX15HSD17B10BIRC2
SCHEMBL11952852 0.93 GAA (0.47) GAATSHRALOX15HSD17B10BIRC2
SCHEMBL11952846 0.86 GAA (0.61) GAATSHRALOX15HSD17B10CYP1A2
SCHEMBL361321 0.86 GAA (0.56) GAATSHRALOX15HSD17B10BIRC2
SCHEMBL8185716 0.84 PHGDH (0.47) HSD17B10PHGDHCYP1A2TDP1MAPT
SCHEMBL12569136 0.82 GAA (0.76) GAATSHRALOX15HSD17B10BIRC2
SCHEMBL6963350 0.82 GAA (0.63) GAATSHRALOX15HSD17B10BIRC2
SCHEMBL209616 0.82 GAA (0.63) GAATSHRALOX15HSD17B10BIRC2
SCHEMBL30098873 0.81 GAA (0.80) GAATSHRALOX15HSD17B10BIRC2
SCHEMBL254801 0.81 GAA (0.67) GAATSHRALOX15HSD17B10BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331761-A1 Aryl Glucoside Derivative, Preparation Method Therefor And Application Thereof SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-10-19 US disclosed
US-20230331761-A1 Aryl Glucoside Derivative, Preparation Method Therefor And Application Thereof SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-10-19 US disclosed
WO-2021227440-A1 A CLASS OF ARYL GLUCOSIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海喆邺生物科技有限公司 2021-11-18 WO disclosed
WO-2014082889-A1 NOVEL IMIDAZOLINES AS DUAL INHIBITORS OF MDM2 AND MDMX F. HOFFMANN-LA ROCHE AG (CH) 2014-06-05 WO disclosed
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX HOFFMANN-LA ROCHE INC. (US) 2014-05-29 US disclosed
US-8513239-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2013-08-20 US disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
EP-2325180-A1 Chiral CIS-imidazolines F. Hoffmann-La Roche AG (CH) 2011-05-25 EP disclosed
EP-2203437-A1 CHIRAL CIS-IMIDAZOLINES F. Hoffmann-Roche AG (CH) 2010-07-07 EP disclosed
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES HOFFMANN-LA ROCHE, INC. 2009-04-30 US disclosed
WO-2009047161-A1 CHIRAL CIS-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-04-16 WO 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 (3 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-20230331761-A1 Aryl Glucoside Derivative, Preparation Method Therefor And Application Thereof SLC5A1, SLC5A2, SLC10A1 GAA 344/4885TSHR 3176/4885ALOX15 845/4885
US-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 GAA 3283/4885TSHR 1143/4885ALOX15 4722/4885
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX MDM2, MDM4, TP53 GAA 3521/4885TSHR 2816/4885ALOX15 4848/4885

“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.