SCHEMBL4523915

SCHEMBL4523915

CN(CCC1CCCc2c1ccn2C)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
HTR6 P50406 1/20 0.40
MAOB P27338 2/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
Oxalic Acid SCHEMBL4519228 0.94 CYP2D6 (0.39) MAOB
SCHEMBL954722 0.84 SIGMAR1 (0.58) SIGMAR1CARM1PRMT6PRMT8HTR6
Oxalic Acid SCHEMBL956463 0.80 SIGMAR1 (0.53) SIGMAR1
SCHEMBL958098 0.79 SIGMAR1 (0.57) SIGMAR1CARM1PRMT6PRMT8HTR6
SCHEMBL956607 0.78 SIGMAR1 (0.44) SIGMAR1CARM1PRMT6PRMT8HTR6
SCHEMBL4108724 0.78 GRIN2B (0.47) SIGMAR1CARM1PRMT6PRMT8
SCHEMBL955114 0.75 SIGMAR1 (0.50) SIGMAR1
SCHEMBL5170674 0.75 SIGMAR1 (0.80) SIGMAR1CARM1PRMT6HRH3
SCHEMBL4519230 0.74 MEN1 (0.35) HTR6
SCHEMBL4514469 0.73 SIGMAR1 (0.38) SIGMAR1

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 18 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-1996548-B1 SIGMA RECEPTOR COMPOUNDS ESTEVE LABOR DR (ES) 2016-01-06 EP disclosed
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-8481567-B2 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-07-09 US 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
US-20090197915-A1 SIGMA RECEPTOR COMPOUNDS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-06 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
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
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 SIGMAR1 1/4885CARM1 4090/4885PRMT6 3662/4885

“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.