SCHEMBL4519230

SCHEMBL4519230

CN(Cc1ccccc1)C(CC1CCCc2c1ccn2C)OC(=O)C(=O)OC(CC1CCCc2c1ccn2C)N(C)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR6 P50406 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BCHE P06276 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL956464 0.85 SIGMAR1 (0.46) MEN1HTTKMT2ACHRM2CHRM1
Oxalic Acid SCHEMBL4519228 0.77 CYP2D6 (0.39) L3MBTL1
SCHEMBL4523915 0.74 SIGMAR1 (0.40) HTR6
SCHEMBL4514469 0.66 SIGMAR1 (0.38)
Oxalic Acid SCHEMBL956463 0.64 SIGMAR1 (0.53) L3MBTL1KDM6BKDM4C
SCHEMBL4526093 0.63 SIGMAR1 (0.37)
SCHEMBL954722 0.61 SIGMAR1 (0.58) HTR6
SCHEMBL16363088 0.60 UGT2B17 (0.40) KMT2A
SCHEMBL11179311 0.60 NPC1 (0.53) MEN1KMT2AL3MBTL1POLBLMNA
Hydrochloric Acid SCHEMBL11228416 0.60 DDB1 (0.43) HTTKMT2AHTR6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996548-B1 SIGMA RECEPTOR COMPOUNDS ESTEVE LABOR DR (ES) 2016-01-06 EP claimed
US-8481567-B2 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-09 US claimed
US-20090197915-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-06 US claimed
EP-1996548-A1 SIGMA RECEPTOR COMPOUNDS Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP claimed
WO-2007098962-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-07 WO claimed
EP-1829862-A1 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP claimed
EP-1996548-B1 SIGMA RECEPTOR COMPOUNDS ESTEVE LABOR DR (ES) 2016-01-06 EP disclosed
US-8481567-B2 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-09 US disclosed
US-20090197915-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-06 US disclosed
EP-1996548-A1 SIGMA RECEPTOR COMPOUNDS Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
WO-2007098962-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2007-09-07 WO disclosed
EP-1829862-A1 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP 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 (1 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-20090197915-A1 SIGMA RECEPTOR COMPOUNDS SIGMAR1, OPRL1, OPRK1 MEN1 4254/4885HTT 3397/4885KMT2A 3651/4885

“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.