SCHEMBL2010851

SCHEMBL2010851

CC(C)N(C)C(=O)CN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.54
CHRM3 P20309 3/20 0.54
SIGMAR1 Q99720 7/20 0.51
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
BIRC2 Q13490 1/20 0.33
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 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 SCHEMBL2009812 0.98 CHRM5 (0.53) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5863 0.82 SIGMAR1 (0.56) CHRM5CHRM3SIGMAR1ALDH1A1MEN1
SCHEMBL19112496 0.82 CHRM2 (0.45) CHRM5CHRM3SIGMAR1ALDH1A1CHRM2
SCHEMBL8389586 0.82 CHRM5 (0.51) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
Piperazine SCHEMBL28845954 0.81 SIGMAR1 (0.54) CHRM5CHRM3SIGMAR1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL17271878 0.81 ALDH1A1 (0.54) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL963162 0.81 ALDH1A1 (0.54) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13888889 0.81 CHRM5 (0.50) CHRM5CHRM3SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL18780865 0.79 SIGMAR1 (0.41) SIGMAR1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9470969 0.79 SIGMAR1 (0.53) CHRM5CHRM3SIGMAR1ALDH1A1MEN1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114323-A1 USES OF KINASE INHIBITORS FOR INDUCING AND MAINTAINING PLURIPOTENCY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-04-27 US disclosed
EP-2203437-B1 CHIRAL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2012-11-07 EP 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-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
WO-2008107322-A1 INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE DERIVATIVES INCLUDING A PIPERIDINE OR PIPERAZINE CORE AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed
WO-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO 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 CHRM5 3828/4885CHRM3 2359/4885SIGMAR1 3877/4885
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES TP53, MDM2, TP53BP1 CHRM5 4495/4885CHRM3 3057/4885SIGMAR1 2590/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 CHRM5 4495/4885CHRM3 3057/4885SIGMAR1 2590/4885

“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.