SCHEMBL1900848

SCHEMBL1900848

CC1(C)OC[C@H](CN2CCNCC2)O1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.43
HTR1A P08908 5/20 0.40
ADRA1A P35348 3/20 0.40
ADRA1B P35368 3/20 0.40
ADRA1D P25100 2/20 0.40
CA2 P00918 2/20 0.38
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL1900854 1.00 TMEM97 (0.49) TMEM97SIGMAR1ALDH1A1NPSR1GAA
SCHEMBL10809019 0.81 GAA (0.64) TMEM97SIGMAR1ALDH1A1NPSR1GAA
SCHEMBL27299616 0.79 TMEM97 (0.49) TMEM97SIGMAR1ALDH1A1NPSR1GAA
SCHEMBL14375247 0.79 TMEM97 (0.52) TMEM97SIGMAR1ALDH1A1NPSR1GAA
SCHEMBL3543202 0.76 ALDH1A1 (0.45) TMEM97SIGMAR1ALDH1A1NPSR1HTR1A
SCHEMBL18498745 0.74 ALDH1A1 (0.46) TMEM97SIGMAR1ALDH1A1NPSR1CA2
SCHEMBL18498742 0.74 ALDH1A1 (0.46) TMEM97SIGMAR1ALDH1A1NPSR1CA2
SCHEMBL23716718 0.73 TMEM97 (0.59) TMEM97SIGMAR1ALDH1A1NPSR1GAA
SCHEMBL7568260 0.73 SMN1; SMN2 (0.39) SIGMAR1ALDH1A1HSD17B10HRH3
SCHEMBL29585287 0.72 TMEM97 (0.55) TMEM97SIGMAR1ALDH1A1NPSR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101821251-A Chiral cis-imidazolines HOFFMANN LA ROCHE 2010-09-01 CN 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 (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-20090111789-A1 CHIRAL CIS-IMIDAZOLINES FOXM1, CCNE1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TMEM97 3934/4885SIGMAR1 408/4885ALDH1A1 2824/4885
US-20140148443-A1 Novel Imidazolines as dual inhibitors of MDM2 and MDMX MDM2, MDM4, TP53 TMEM97 3563/4885SIGMAR1 3779/4885ALDH1A1 3011/4885

“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.