SCHEMBL2011410

SCHEMBL2011410

CN(CCC#N)C(=O)CN1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.46
POLB P06746 2/20 0.46
CHRM5 P08912 2/20 0.40
CHRM3 P20309 2/20 0.40
CASP1 P29466 1/20 0.39
ALDH1A1 P00352 7/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 4/20 0.34
THRB P10828 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.32

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
Hydrochloric Acid SCHEMBL2009760 0.98 SIGMAR1 (0.56) SIGMAR1SMN1; SMN2POLBCHRM5CHRM3
SCHEMBL3997780 0.84 SIGMAR1 (0.52) SIGMAR1SMN1; SMN2POLBCHRM5CHRM3
SCHEMBL23869788 0.78 SMN1; SMN2 (0.41) SIGMAR1SMN1; SMN2POLBCHRM5CHRM3
SCHEMBL665674 0.77 SIGMAR1 (0.61) SIGMAR1POLBCHRM5CHRM3ALDH1A1
SCHEMBL7748189 0.76 SIGMAR1 (0.54) SIGMAR1SMN1; SMN2POLBCHRM5CHRM3
SCHEMBL24029891 0.75 SIGMAR1 (0.52) SIGMAR1POLBCHRM5CHRM3ALDH1A1
SCHEMBL5863 0.75 SIGMAR1 (0.56) SIGMAR1CHRM5CHRM3ALDH1A1MEN1
Hydrochloric Acid SCHEMBL17271878 0.73 ALDH1A1 (0.54) SIGMAR1SMN1; SMN2CHRM5CHRM3ALDH1A1
Piperazine SCHEMBL28845954 0.73 SIGMAR1 (0.54) SIGMAR1CHRM5CHRM3ALDH1A1MEN1
Hydrochloric Acid SCHEMBL963162 0.73 ALDH1A1 (0.54) SIGMAR1SMN1; SMN2CHRM5CHRM3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP disclosed
EP-1753727-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2007-02-21 EP disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211693-A1 Cis-imidazolines FOTOUHI NADER 2006-09-21 US disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 US disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 WO disclosed
WO-2005110996-A1 NOVEL CIS-IMIDAZOLINES F.HOFFMANN-LA ROCHE AG (CH) 2005-11-24 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-20060211693-A1 Cis-imidazolines TP53, MDM2, CDC25C SIGMAR1 3877/4885SMN1; SMN2 2851/4885POLB 1881/4885
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES TP53, MDM2, TP53BP1 SIGMAR1 2590/4885SMN1; SMN2 3320/4885POLB 3195/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 SIGMAR1 2590/4885SMN1; SMN2 3320/4885POLB 3195/4885

“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.