SCHEMBL1896482

SCHEMBL1896482

CCN(CC)C(CCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1)OC(=O)C(=O)OC(CCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1)N(CC)CC

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.62
KCNH2 Q12809 1/20 0.52

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
SCHEMBL1896896 0.85 SIGMAR1 (0.65) SIGMAR1KCNH2
SCHEMBL1899226 0.84 SIGMAR1 (0.65) SIGMAR1KCNH2
Oxalic Acid SCHEMBL1896480 0.78 SIGMAR1 (0.88) SIGMAR1KCNH2
SCHEMBL466979 0.78 SIGMAR1 (0.88) SIGMAR1KCNH2
SCHEMBL467023 0.77 SIGMAR1 (1.00) SIGMAR1KCNH2
Hydrochloric Acid SCHEMBL1903312 0.77 SIGMAR1 (0.86) SIGMAR1KCNH2
SCHEMBL731151 0.75 SIGMAR1 (0.67) SIGMAR1KCNH2
SCHEMBL20608293 0.72 SIGMAR1 (0.71) SIGMAR1KCNH2
Oxalic Acid SCHEMBL1896893 0.72 SIGMAR1 (0.88) SIGMAR1KCNH2
SCHEMBL729190 0.71 SIGMAR1 (0.61) SIGMAR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463339-B1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER ESTEVE PHARMACEUTICALS SA (ES) 2023-12-06 EP disclosed
US-20190142840-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-05-16 US disclosed
WO-2019068771-A1 USE OF SIGMA RECEPTOR LIGANDS IN AGE-RELATED COGNITIVE IMPAIRMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-04-11 WO disclosed
EP-3463339-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER ESTEVE PHARMACEUTICALS, S.A. (ES) 2019-04-10 EP disclosed
WO-2018011169-A1 USE OF SIGMA RECEPTOR LIGANDS IN POST-HERPETIC PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2018-01-18 WO disclosed
WO-2017211763-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-12-14 WO disclosed
WO-2017211765-A1 SIGMA LIGANDS FOR USE IN THE TREATMENT OF DIABETES AND METABOLIC SYNDROME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2017-12-14 WO disclosed
US-20170273948-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2017-09-28 US disclosed
US-8470867-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-06-25 US disclosed
US-8314096-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-11-20 US disclosed
US-8293740-B2 Sigma receptor inhibitors LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2012-10-23 US disclosed
EP-1781618-B1 SIGMA RECEPTOR INHIBITORS ESTEVE LABOR DR (ES) 2012-10-03 EP disclosed
EP-2325174-A1 Sigma receptor inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-05-25 EP disclosed
US-20100190780-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US disclosed
US-20100190790-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US disclosed
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS ESTEVE PHARMACEUTICALS, S.A. (ES) 2010-07-29 US disclosed
US-7696199-B2 Sigma receptor inhibitors LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-13 US disclosed
US-20080125416-A1 Sigma Receptor Inhibitors ESTEVE PHARMACEUTICALS, S.A. (ES) 2008-05-29 US disclosed
EP-1781618-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-05-09 EP disclosed
WO-2006021462-A1 SIGMA RECEPTOR INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-03-02 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 (6 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-20190142840-A1 USE OF SIGMA RECEPTOR LIGANDS IN CANCER SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 3544/4885
US-20100190790-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 1365/4885
US-20080125416-A1 Sigma Receptor Inhibitors SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 1365/4885
US-20170273948-A1 USE OF SIGMA RECEPTOR LIGANDS IN OSTEOARTHRITIS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885KCNH2 2571/4885
US-20100190781-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 1365/4885
US-20100190780-A1 SIGMA RECEPTOR INHIBITORS SIGMAR1, TMEM97, OPRL1 SIGMAR1 1/4885KCNH2 1365/4885

“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.