SCHEMBL4520692

SCHEMBL4520692

Cn1ccc2c1CCCC2CCN1CCC(c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.71
SLC18A3 Q16572 2/20 0.52
DRD2 P14416 2/20 0.52
CARM1 Q86X55 1/20 0.49
PRMT6 Q96LA8 1/20 0.49
TMEM97 Q5BJF2 1/20 0.47
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR7 P34969 2/20 0.45
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
DRD3 P35462 1/20 0.43

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 SCHEMBL4533958 0.94 SIGMAR1 (0.65) SIGMAR1SLC18A3DRD2CARM1PRMT6
SCHEMBL957621 0.83 SIGMAR1 (1.00) SIGMAR1SLC18A3DRD2CARM1PRMT6
SCHEMBL955900 0.80 SIGMAR1 (0.77) SIGMAR1SLC18A3DRD2CARM1PRMT6
SCHEMBL954292 0.79 SIGMAR1 (0.77) SIGMAR1SLC18A3DRD2CARM1PRMT6
Oxalic Acid SCHEMBL466885 0.79 SIGMAR1 (0.90) SIGMAR1SLC18A3DRD2CARM1PRMT6
SCHEMBL4098226 0.79 SIGMAR1 (0.60) SIGMAR1SLC18A3DRD2CARM1PRMT6
SCHEMBL14721815 0.79 SIGMAR1 (0.60) SIGMAR1SLC18A3DRD2CARM1PRMT6
SCHEMBL16352698 0.77 SIGMAR1 (0.44) SIGMAR1TMEM97
Oxalic Acid SCHEMBL957600 0.76 SIGMAR1 (0.70) SIGMAR1SLC18A3DRD2CARM1PRMT6
SCHEMBL958103 0.75 SIGMAR1 (0.70) SIGMAR1SLC18A3DRD2TMEM97

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
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-1829862-A1 Sigma receptor compounds LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-09-05 EP claimed
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. 2017-12-07 US disclosed
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. 2017-12-07 US disclosed
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-20140378460-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2014-12-25 US disclosed
US-20140378460-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE COGNITION THERAPEUTICS, INC. (US) 2014-12-25 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 (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-20140378460-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, SIGMAR1 SIGMAR1 3/4885SLC18A3 9/4885DRD2 164/4885
US-20170349554-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASE TMEM97, SLC18A2, SIGMAR1 SIGMAR1 3/4885SLC18A3 9/4885DRD2 164/4885
US-20090197915-A1 SIGMA RECEPTOR COMPOUNDS SIGMAR1, OPRL1, OPRK1 SIGMAR1 1/4885SLC18A3 330/4885DRD2 177/4885

“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.