SCHEMBL1355010

SCHEMBL1355010

Cc1cc(NCCN2CCOCC2)nn1-c1ccc2ccccc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 11/20 0.64
HTR2B P41595 1/20 0.64
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
SMARCA2 P51531 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
MEN1 O00255 2/20 0.49
MITF O75030 1/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL4655445 0.91 SIGMAR1 (0.55) SIGMAR1HTR2BKMT2ALMNASMARCA2
SCHEMBL1356396 0.83 SIGMAR1 (0.67) SIGMAR1
SCHEMBL1356487 0.81 SIGMAR1 (0.57) SIGMAR1HTR2BKMT2ALMNATSHR
SCHEMBL31466529 0.80 SIGMAR1 (0.67) SIGMAR1HTR2B
SCHEMBL1357638 0.80 SIGMAR1 (0.71) SIGMAR1HTR2BKMT2ALMNASMARCA2
SCHEMBL4654496 0.79 SIGMAR1 (0.62) SIGMAR1HTR2BKMT2ALMNASMARCA2
SCHEMBL1740562 0.79 SIGMAR1 (0.76) SIGMAR1HTR2B
SCHEMBL29371513 0.78 SIGMAR1 (1.00) SIGMAR1HTR2B
SCHEMBL99404 0.78 SIGMAR1 (1.00) SIGMAR1HTR2B
Hydrochloric Acid SCHEMBL99116 0.77 SIGMAR1 (0.98) SIGMAR1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP claimed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US claimed
CN-101395139-B Sigma receptor compounds ESTEVE LABOR DR 2012-07-18 CN claimed
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-17 US claimed
US-7989485-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-02 US claimed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 US claimed
CN-101395139-A Sigma receptor compounds ESTEVE LABOR DR (ES) 2009-03-25 CN claimed
EP-1994008-B1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR ESTEVE LABOR DR (ES) 2016-08-10 EP disclosed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US disclosed
US-8410159-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIES DEL DR. ESTEVE, S.A. (ES) 2013-04-02 US disclosed
CN-101395139-B Sigma receptor compounds ESTEVE LABOR DR 2012-07-18 CN disclosed
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-17 US disclosed
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-11-17 US disclosed
US-7989485-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-02 US disclosed
US-7989485-B2 Imidazole compounds having pharmaceutical activity towards the sigma receptor LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-08-02 US disclosed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 US disclosed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 US disclosed
US-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-05-28 US disclosed
CN-101395139-A Sigma receptor compounds ESTEVE LABOR DR (ES) 2009-03-25 CN disclosed
WO-2007098967-A2 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR LABORATORIOS DEL DR.ESTEVE, S.A. (ES) 2007-09-07 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 (2 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-20090137560-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885HTR2B 61/4885KMT2A 3234/4885
US-20110281848-A1 IMIDAZOLE COMPOUNDS HAVING PHARMACEUTICAL ACTIVITY TOWARDS THE SIGMA RECEPTOR SIGMAR1, TMEM97, OPRK1 SIGMAR1 1/4885HTR2B 61/4885KMT2A 3234/4885

“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.